(3S)-1-(2-amino-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol

C11H17N5O — CID 122456413

IUPAC(3S)-1-(2-amino-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol
SMILESNc1nc2c(c(N3CC[C@H](O)C3)n1)CCCN2
InChIInChI=1S/C11H17N5O/c12-11-14-9-8(2-1-4-13-9)10(15-11)16-5-3-7(17)6-16/h7,17H,1-6H2,(H3,12,13,14,15)/t7-/m0/s1
InChIKeyQIKLXXDJMBSQLQ-ZETCQYMHSA-N
MW235.29 g/mol
LogP-0.01
Rot. Bonds1

About (3S)-1-(2-amino-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol

(3S)-1-(2-amino-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol (PubChem CID 122456413) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is (3S)-1-(2-amino-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(2-amino-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol
PubChem CID122456413
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name(3S)-1-(2-amino-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol
SMILESNc1nc2c(c(N3CC[C@H](O)C3)n1)CCCN2
InChIInChI=1S/C11H17N5O/c12-11-14-9-8(2-1-4-13-9)10(15-11)16-5-3-7(17)6-16/h7,17H,1-6H2,(H3,12,13,14,15)/t7-/m0/s1
InChIKeyQIKLXXDJMBSQLQ-ZETCQYMHSA-N
XLogP-0.01
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[7-Methyl-2-(propylamino)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol
CID 57378242
1-[7-Methyl-2-(propylamino)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol;hydrochloride
CID 67775167
1-[2-Amino-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-7-yl]ethanol
CID 70968585
1-(2-Amino-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol
CID 122456415
(3R)-1-(2-amino-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol
CID 122456439
[(3S)-1-(2-amino-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl] formate
CID 140866823
[2-Amino-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-7-yl]methanol
CID 143856631
(3S)-1-(2-amino-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol;formic acid
CID 160747190
2-[[(6R)-6-methyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl]amino]ethanol
CID 52233138
2-[[(6S)-6-methyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl]amino]ethanol
CID 52233139
2-[(6-Methyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 56729995
1-[5-Ethyl-6-(methylamino)pyrimidin-4-yl]piperidin-4-ol
CID 80763697

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-amino-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol?
The IUPAC name of (3S)-1-(2-amino-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol (CID 122456413) is (3S)-1-(2-amino-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-(2-amino-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-(2-amino-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol is Nc1nc2c(c(N3CC[C@H](O)C3)n1)CCCN2.
What is the InChIKey of (3S)-1-(2-amino-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol?
The InChIKey is QIKLXXDJMBSQLQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H17N5O/c12-11-14-9-8(2-1-4-13-9)10(15-11)16-5-3-7(17)6-16/h7,17H,1-6H2,(H3,12,13,14,15)/t7-/m0/s1.
What are the key properties of (3S)-1-(2-amino-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol?
(3S)-1-(2-amino-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol has a molecular weight of 235.29 g/mol, XLogP of -0.01, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-amino-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 122456413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).