[(2S)-1-[2-[(2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol

C20H28N6O — CID 95724044

IUPAC[(2S)-1-[2-[(2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol
SMILESOC[C@@H]1CCCCN1CCNc1nc(-c2ccccn2)nc2c1CCNC2
InChIInChI=1S/C20H28N6O/c27-14-15-5-2-4-11-26(15)12-10-23-19-16-7-9-21-13-18(16)24-20(25-19)17-6-1-3-8-22-17/h1,3,6,8,15,21,27H,2,4-5,7,9-14H2,(H,23,24,25)/t15-/m0/s1
InChIKeyUJTAPCMESXXXTE-HNNXBMFYSA-N
MW368.49 g/mol
LogP1.44
Rot. Bonds6

About [(2S)-1-[2-[(2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol

[(2S)-1-[2-[(2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol (PubChem CID 95724044) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is [(2S)-1-[2-[(2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-[2-[(2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol
PubChem CID95724044
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC Name[(2S)-1-[2-[(2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol
SMILESOC[C@@H]1CCCCN1CCNc1nc(-c2ccccn2)nc2c1CCNC2
InChIInChI=1S/C20H28N6O/c27-14-15-5-2-4-11-26(15)12-10-23-19-16-7-9-21-13-18(16)24-20(25-19)17-6-1-3-8-22-17/h1,3,6,8,15,21,27H,2,4-5,7,9-14H2,(H,23,24,25)/t15-/m0/s1
InChIKeyUJTAPCMESXXXTE-HNNXBMFYSA-N
XLogP1.44
TPSA86.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [(2S)-1-[2-[(2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol with MolForge

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Related Compounds

[1-[2-[(2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol
CID 56909374
N-[2-(oxan-2-yl)ethyl]-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 70722134
N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56886822
1-[2-[(2-pyridin-2-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)amino]ethyl]pyrrolidin-2-one
CID 50982829
(4aS,8aS)-2-(2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 56898421
N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 97148580
N-[2-(1-benzylpiperidin-2-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56741664
N-(1-pyrazin-2-ylpropan-2-yl)-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56901267
4-methyl-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;dihydrochloride
CID 71298613
1-[4-[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 56893291
2-pyridin-2-yl-N-(1-thiophen-3-ylpropan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 70756156
N-(2-morpholin-4-ylethyl)-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56758389

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[2-[(2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol?
The IUPAC name of [(2S)-1-[2-[(2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol (CID 95724044) is [(2S)-1-[2-[(2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-[2-[(2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-[2-[(2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol is OC[C@@H]1CCCCN1CCNc1nc(-c2ccccn2)nc2c1CCNC2.
What is the InChIKey of [(2S)-1-[2-[(2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol?
The InChIKey is UJTAPCMESXXXTE-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H28N6O/c27-14-15-5-2-4-11-26(15)12-10-23-19-16-7-9-21-13-18(16)24-20(25-19)17-6-1-3-8-22-17/h1,3,6,8,15,21,27H,2,4-5,7,9-14H2,(H,23,24,25)/t15-/m0/s1.
What are the key properties of [(2S)-1-[2-[(2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol?
[(2S)-1-[2-[(2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol has a molecular weight of 368.49 g/mol, XLogP of 1.44, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[2-[(2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol is sourced from PubChem (CID 95724044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).