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

C12H19N5O3 — CID 160747190

IUPAC(3S)-1-(2-amino-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol;formic acid
SMILESNc1nc2c(c(N3CC[C@H](O)C3)n1)CCCN2.O=CO
InChIInChI=1S/C11H17N5O.CH2O2/c12-11-14-9-8(2-1-4-13-9)10(15-11)16-5-3-7(17)6-16;2-1-3/h7,17H,1-6H2,(H3,12,13,14,15);1H,(H,2,3)/t7-;/m0./s1
InChIKeyRWIMGVSEODAQKU-FJXQXJEOSA-N
MW281.32 g/mol
LogP-0.31
Rot. Bonds1

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

(3S)-1-(2-amino-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol;formic acid (PubChem CID 160747190) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is (3S)-1-(2-amino-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol;formic acid.

Molecular Properties

Compound Name(3S)-1-(2-amino-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol;formic acid
PubChem CID160747190
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC Name(3S)-1-(2-amino-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol;formic acid
SMILESNc1nc2c(c(N3CC[C@H](O)C3)n1)CCCN2.O=CO
InChIInChI=1S/C11H17N5O.CH2O2/c12-11-14-9-8(2-1-4-13-9)10(15-11)16-5-3-7(17)6-16;2-1-3/h7,17H,1-6H2,(H3,12,13,14,15);1H,(H,2,3)/t7-;/m0./s1
InChIKeyRWIMGVSEODAQKU-FJXQXJEOSA-N
XLogP-0.31
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 5-0.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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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;formic acid?
The IUPAC name of (3S)-1-(2-amino-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol;formic acid (CID 160747190) is (3S)-1-(2-amino-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol;formic acid.
What is the SMILES notation for (3S)-1-(2-amino-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol;formic acid?
The canonical SMILES for (3S)-1-(2-amino-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol;formic acid is Nc1nc2c(c(N3CC[C@H](O)C3)n1)CCCN2.O=CO.
What is the InChIKey of (3S)-1-(2-amino-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol;formic acid?
The InChIKey is RWIMGVSEODAQKU-FJXQXJEOSA-N. The full InChI is InChI=1S/C11H17N5O.CH2O2/c12-11-14-9-8(2-1-4-13-9)10(15-11)16-5-3-7(17)6-16;2-1-3/h7,17H,1-6H2,(H3,12,13,14,15);1H,(H,2,3)/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;formic acid?
(3S)-1-(2-amino-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol;formic acid has a molecular weight of 281.32 g/mol, XLogP of -0.31, 1 rotatable bonds, 4 hydrogen bond donors, and 7 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;formic acid is sourced from PubChem (CID 160747190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).