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

C21H23N5O — CID 25033412

IUPAC(2S)-2-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-2-phenylethanol
SMILESCc1ccc(N2CCc3ncnc(N[C@H](CO)c4ccccc4)c3C2)nc1
InChIInChI=1S/C21H23N5O/c1-15-7-8-20(22-11-15)26-10-9-18-17(12-26)21(24-14-23-18)25-19(13-27)16-5-3-2-4-6-16/h2-8,11,14,19,27H,9-10,12-13H2,1H3,(H,23,24,25)/t19-/m1/s1
InChIKeyRKPAFGOLZJQTPL-LJQANCHMSA-N
MW361.45 g/mol
LogP2.89
Rot. Bonds5

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

(2S)-2-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-2-phenylethanol (PubChem CID 25033412) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is (2S)-2-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-2-phenylethanol.

Molecular Properties

Compound Name(2S)-2-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-2-phenylethanol
PubChem CID25033412
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name(2S)-2-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-2-phenylethanol
SMILESCc1ccc(N2CCc3ncnc(N[C@H](CO)c4ccccc4)c3C2)nc1
InChIInChI=1S/C21H23N5O/c1-15-7-8-20(22-11-15)26-10-9-18-17(12-26)21(24-14-23-18)25-19(13-27)16-5-3-2-4-6-16/h2-8,11,14,19,27H,9-10,12-13H2,1H3,(H,23,24,25)/t19-/m1/s1
InChIKeyRKPAFGOLZJQTPL-LJQANCHMSA-N
XLogP2.89
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

Apilimod
CID 10173277
Pyrithiamine bromide hydrobromide
CID 10802
1-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-3-(2-hydroxyethyl)-2-methylpyridinium
CID 10803
4-Anilinopyrimido[5,4-d]pyrimidine deriv. 6g
CID 5328348
Trans-4-{[2-(Butylamino)-5-(Pyridin-2-Yl)pyrimidin-4-Yl]amino}cyclohexanol
CID 71819732
3-[[2-(Butylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]propan-1-ol
CID 72793042
4-[[2-(Butylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]butan-1-ol
CID 72793043
1-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
CID 71727256
4-[[2-(Butylamino)-5-[5-[(cyclohexylamino)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 72792907
4-[[2-(Butylamino)-5-[5-[(2-hydroxyethylamino)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 72792909
4-[[2-(Butylamino)-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 72793607
1-[1-(3,4-Difluorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
CID 78160981

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-2-phenylethanol?
The IUPAC name of (2S)-2-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-2-phenylethanol (CID 25033412) is (2S)-2-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-2-phenylethanol.
What is the SMILES notation for (2S)-2-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-2-phenylethanol?
The canonical SMILES for (2S)-2-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-2-phenylethanol is Cc1ccc(N2CCc3ncnc(N[C@H](CO)c4ccccc4)c3C2)nc1.
What is the InChIKey of (2S)-2-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-2-phenylethanol?
The InChIKey is RKPAFGOLZJQTPL-LJQANCHMSA-N. The full InChI is InChI=1S/C21H23N5O/c1-15-7-8-20(22-11-15)26-10-9-18-17(12-26)21(24-14-23-18)25-19(13-27)16-5-3-2-4-6-16/h2-8,11,14,19,27H,9-10,12-13H2,1H3,(H,23,24,25)/t19-/m1/s1.
What are the key properties of (2S)-2-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-2-phenylethanol?
(2S)-2-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-2-phenylethanol has a molecular weight of 361.45 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-2-phenylethanol is sourced from PubChem (CID 25033412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).