2,5-diamino-4-piperidin-1-yl-1H-pyrimidin-6-one

C9H15N5O — CID 135850741

IUPAC2,5-diamino-4-piperidin-1-yl-1H-pyrimidin-6-one
SMILESNc1nc(N2CCCCC2)c(N)c(=O)[nH]1
InChIInChI=1S/C9H15N5O/c10-6-7(12-9(11)13-8(6)15)14-4-2-1-3-5-14/h1-5,10H2,(H3,11,12,13,15)
InChIKeyKYSFZDBMUUDLLA-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.08
Rot. Bonds1

About 2,5-diamino-4-piperidin-1-yl-1H-pyrimidin-6-one

2,5-diamino-4-piperidin-1-yl-1H-pyrimidin-6-one (PubChem CID 135850741) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is 2,5-diamino-4-piperidin-1-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,5-diamino-4-piperidin-1-yl-1H-pyrimidin-6-one
PubChem CID135850741
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name2,5-diamino-4-piperidin-1-yl-1H-pyrimidin-6-one
SMILESNc1nc(N2CCCCC2)c(N)c(=O)[nH]1
InChIInChI=1S/C9H15N5O/c10-6-7(12-9(11)13-8(6)15)14-4-2-1-3-5-14/h1-5,10H2,(H3,11,12,13,15)
InChIKeyKYSFZDBMUUDLLA-UHFFFAOYSA-N
XLogP-0.08
TPSA101.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 20276628
6(s)-Propyl-tetrahydropterin
CID 135518060
2,5-diamino-4-(1-aminopentylamino)-1H-pyrimidin-6-one
CID 135584213
4-amino-5-piperidin-1-yl-1H-pyrimidin-6-one
CID 136343863
(6R)-2-amino-6-propyl-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 136389752
2-amino-6-propyl-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 136389753
2,5-diamino-4-(5-aminopentylamino)-1H-pyrimidin-6-one
CID 136418258
2,5-diamino-4-[[(1S)-1-aminopentyl]amino]-1H-pyrimidin-6-one
CID 140365223
4,5-diamino-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 171653782
2-Amino-8-cyclopentyl-3,5-dihydropteridine-4,6,7-trione
CID 175788880
2-amino-8-cyclohexyl-7-ethyl-5-methyl-6,7-dihydro-3H-pteridin-4-one
CID 176170815
2-amino-8-cyclopentyl-7-ethyl-5-methyl-6,7-dihydro-3H-pteridin-4-one
CID 176170824

Frequently Asked Questions

What is the IUPAC name of 2,5-diamino-4-piperidin-1-yl-1H-pyrimidin-6-one?
The IUPAC name of 2,5-diamino-4-piperidin-1-yl-1H-pyrimidin-6-one (CID 135850741) is 2,5-diamino-4-piperidin-1-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2,5-diamino-4-piperidin-1-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2,5-diamino-4-piperidin-1-yl-1H-pyrimidin-6-one is Nc1nc(N2CCCCC2)c(N)c(=O)[nH]1.
What is the InChIKey of 2,5-diamino-4-piperidin-1-yl-1H-pyrimidin-6-one?
The InChIKey is KYSFZDBMUUDLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c10-6-7(12-9(11)13-8(6)15)14-4-2-1-3-5-14/h1-5,10H2,(H3,11,12,13,15).
What are the key properties of 2,5-diamino-4-piperidin-1-yl-1H-pyrimidin-6-one?
2,5-diamino-4-piperidin-1-yl-1H-pyrimidin-6-one has a molecular weight of 209.25 g/mol, XLogP of -0.08, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diamino-4-piperidin-1-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135850741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).