(2S)-2-[[6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-2-(6-methoxy-3-pyridinyl)ethanol

C20H21ClN6O2 — CID 25032349

IUPAC(2S)-2-[[6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-2-(6-methoxy-3-pyridinyl)ethanol
SMILESCOc1ccc([C@@H](CO)Nc2ncnc3c2CN(c2ccc(Cl)cn2)CC3)cn1
InChIInChI=1S/C20H21ClN6O2/c1-29-19-5-2-13(8-23-19)17(11-28)26-20-15-10-27(7-6-16(15)24-12-25-20)18-4-3-14(21)9-22-18/h2-5,8-9,12,17,28H,6-7,10-11H2,1H3,(H,24,25,26)/t17-/m1/s1
InChIKeyWPBBTBJCOJRQNE-QGZVFWFLSA-N
MW412.88 g/mol
LogP2.64
Rot. Bonds6

About (2S)-2-[[6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-2-(6-methoxy-3-pyridinyl)ethanol

(2S)-2-[[6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-2-(6-methoxy-3-pyridinyl)ethanol (PubChem CID 25032349) has the molecular formula C20H21ClN6O2 and a molecular weight of 412.88 g/mol. Its IUPAC name is (2S)-2-[[6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-2-(6-methoxy-3-pyridinyl)ethanol.

Molecular Properties

Compound Name(2S)-2-[[6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-2-(6-methoxy-3-pyridinyl)ethanol
PubChem CID25032349
Molecular FormulaC20H21ClN6O2
Molecular Weight412.88 g/mol
Exact Mass412.14
IUPAC Name(2S)-2-[[6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-2-(6-methoxy-3-pyridinyl)ethanol
SMILESCOc1ccc([C@@H](CO)Nc2ncnc3c2CN(c2ccc(Cl)cn2)CC3)cn1
InChIInChI=1S/C20H21ClN6O2/c1-29-19-5-2-13(8-23-19)17(11-28)26-20-15-10-27(7-6-16(15)24-12-25-20)18-4-3-14(21)9-22-18/h2-5,8-9,12,17,28H,6-7,10-11H2,1H3,(H,24,25,26)/t17-/m1/s1
InChIKeyWPBBTBJCOJRQNE-QGZVFWFLSA-N
XLogP2.64
TPSA96.29 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.88
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (2S)-2-[[6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-2-(6-methoxy-3-pyridinyl)ethanol with MolForge

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Launch Full Analysis

Related Compounds

2-[4-[6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 127041882
N-(2-methoxyethyl)-4-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]pyridin-2-amine
CID 155525971
4-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-N-(oxan-4-yl)pyridin-2-amine
CID 155556576
4-[[4-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2-pyridinyl]amino]cyclohexan-1-ol
CID 155561366
5-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-N-(oxan-4-yl)pyridin-2-amine
CID 155568388
(3R)-3-[[6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-3-(6-methoxy-3-pyridinyl)propan-1-ol
CID 25032347
(R)-3-(6-Methoxy-pyridin-3-yl)-3-[6-(5-methyl-pyridin-2-yl)-5,6,7,8-tetrahydro-pyrido[4,3-d]pyrimidin-4-ylamino]-propan-1-ol
CID 25032348
(S)-2-(6-Methoxy-pyridin-3-yl)-2-[6-(5-methyl-pyridin-2-yl)-5,6,7,8-tetrahydro-pyrido[4,3-d]pyrimidin-4-ylamino]-ethanol
CID 25032350
N-[(1R)-1-(4-methoxyphenyl)ethyl]-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 25033496
5-Chloro-2-(4-((6-methoxypyridin-3-yl)methylamino)-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl)benzonitrile
CID 25062409
2-[4-[[(1S)-2-hydroxy-1-(6-methoxy-3-pyridinyl)ethyl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-5-methylbenzonitrile
CID 25062679
2-[4-[[(1R)-3-hydroxy-1-(6-methoxy-3-pyridinyl)propyl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-5-methylbenzonitrile
CID 25062680

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-2-(6-methoxy-3-pyridinyl)ethanol?
The IUPAC name of (2S)-2-[[6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-2-(6-methoxy-3-pyridinyl)ethanol (CID 25032349) is (2S)-2-[[6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-2-(6-methoxy-3-pyridinyl)ethanol.
What is the SMILES notation for (2S)-2-[[6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-2-(6-methoxy-3-pyridinyl)ethanol?
The canonical SMILES for (2S)-2-[[6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-2-(6-methoxy-3-pyridinyl)ethanol is COc1ccc([C@@H](CO)Nc2ncnc3c2CN(c2ccc(Cl)cn2)CC3)cn1.
What is the InChIKey of (2S)-2-[[6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-2-(6-methoxy-3-pyridinyl)ethanol?
The InChIKey is WPBBTBJCOJRQNE-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H21ClN6O2/c1-29-19-5-2-13(8-23-19)17(11-28)26-20-15-10-27(7-6-16(15)24-12-25-20)18-4-3-14(21)9-22-18/h2-5,8-9,12,17,28H,6-7,10-11H2,1H3,(H,24,25,26)/t17-/m1/s1.
What are the key properties of (2S)-2-[[6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-2-(6-methoxy-3-pyridinyl)ethanol?
(2S)-2-[[6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-2-(6-methoxy-3-pyridinyl)ethanol has a molecular weight of 412.88 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[6-(5-chloro-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-2-(6-methoxy-3-pyridinyl)ethanol is sourced from PubChem (CID 25032349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).