2,4-diamino-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrimidin-6-one

C9H13N5O — CID 135484960

IUPAC2,4-diamino-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrimidin-6-one
SMILESNc1nc(N)c(C2=CCNCC2)c(=O)[nH]1
InChIInChI=1S/C9H13N5O/c10-7-6(5-1-3-12-4-2-5)8(15)14-9(11)13-7/h1,12H,2-4H2,(H5,10,11,13,14,15)
InChIKeyCPMAOFQJRLJHMC-UHFFFAOYSA-N
MW207.24 g/mol
LogP-0.69
Rot. Bonds1

About 2,4-diamino-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrimidin-6-one

2,4-diamino-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrimidin-6-one (PubChem CID 135484960) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 2,4-diamino-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,4-diamino-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrimidin-6-one
PubChem CID135484960
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name2,4-diamino-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrimidin-6-one
SMILESNc1nc(N)c(C2=CCNCC2)c(=O)[nH]1
InChIInChI=1S/C9H13N5O/c10-7-6(5-1-3-12-4-2-5)8(15)14-9(11)13-7/h1,12H,2-4H2,(H5,10,11,13,14,15)
InChIKeyCPMAOFQJRLJHMC-UHFFFAOYSA-N
XLogP-0.69
TPSA109.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 5-0.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2,4-diamino-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrimidin-6-one (CID 135484960) is 2,4-diamino-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2,4-diamino-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2,4-diamino-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrimidin-6-one is Nc1nc(N)c(C2=CCNCC2)c(=O)[nH]1.
What is the InChIKey of 2,4-diamino-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrimidin-6-one?
The InChIKey is CPMAOFQJRLJHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c10-7-6(5-1-3-12-4-2-5)8(15)14-9(11)13-7/h1,12H,2-4H2,(H5,10,11,13,14,15).
What are the key properties of 2,4-diamino-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrimidin-6-one?
2,4-diamino-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrimidin-6-one has a molecular weight of 207.24 g/mol, XLogP of -0.69, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135484960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).