2,6-diamino-1-piperidin-4-ylpyrimidin-4-one

C9H15N5O — CID 140969377

IUPAC2,6-diamino-1-piperidin-4-ylpyrimidin-4-one
SMILESNc1cc(=O)nc(N)n1C1CCNCC1
InChIInChI=1S/C9H15N5O/c10-7-5-8(15)13-9(11)14(7)6-1-3-12-4-2-6/h5-6,12H,1-4,10H2,(H2,11,13,15)
InChIKeyJPCBOIUUKBJWEY-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.67
Rot. Bonds1

About 2,6-diamino-1-piperidin-4-ylpyrimidin-4-one

2,6-diamino-1-piperidin-4-ylpyrimidin-4-one (PubChem CID 140969377) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is 2,6-diamino-1-piperidin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name2,6-diamino-1-piperidin-4-ylpyrimidin-4-one
PubChem CID140969377
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name2,6-diamino-1-piperidin-4-ylpyrimidin-4-one
SMILESNc1cc(=O)nc(N)n1C1CCNCC1
InChIInChI=1S/C9H15N5O/c10-7-5-8(15)13-9(11)14(7)6-1-3-12-4-2-6/h5-6,12H,1-4,10H2,(H2,11,13,15)
InChIKeyJPCBOIUUKBJWEY-UHFFFAOYSA-N
XLogP-0.67
TPSA98.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-6-(cyclopentylamino)-1H-pyrimidin-4-one
CID 135408692
6-(Piperidin-1-yl)-3,4-dihydropyrimidin-4-one
CID 136957380
2-(4-aminopiperidin-1-yl)-6-methylpyrimidin-4(3H)-one dihydrochloride
CID 137017015
6-(3-Aminopiperidin-1-yl)-3,4-dihydropyrimidin-4-one dihydrochloride
CID 139026488
2-[Methyl(piperidin-4-yl)amino]pyrimidin-4-ol
CID 14601273
2-Amino-6-(cyclohexylamino)pyrimidin-4(1h)-one
CID 135402393
2-amino-6-[4-(5-fluoropentyl)piperazin-1-yl]pyrimidin-4(3H)-one
CID 136663750
2-[(1-methylpiperidin-4-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136741433
2-(piperidin-4-ylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136741437
2-(4-Aminopiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-4(3H)-one
CID 136741438
6-(4,4-Difluoropiperidin-1-yl)pyrimidin-4(3H)-one
CID 146673525
6-(4-Fluoropiperidin-1-yl)-3,4-dihydropyrimidin-4-one
CID 164648869

Frequently Asked Questions

What is the IUPAC name of 2,6-diamino-1-piperidin-4-ylpyrimidin-4-one?
The IUPAC name of 2,6-diamino-1-piperidin-4-ylpyrimidin-4-one (CID 140969377) is 2,6-diamino-1-piperidin-4-ylpyrimidin-4-one.
What is the SMILES notation for 2,6-diamino-1-piperidin-4-ylpyrimidin-4-one?
The canonical SMILES for 2,6-diamino-1-piperidin-4-ylpyrimidin-4-one is Nc1cc(=O)nc(N)n1C1CCNCC1.
What is the InChIKey of 2,6-diamino-1-piperidin-4-ylpyrimidin-4-one?
The InChIKey is JPCBOIUUKBJWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c10-7-5-8(15)13-9(11)14(7)6-1-3-12-4-2-6/h5-6,12H,1-4,10H2,(H2,11,13,15).
What are the key properties of 2,6-diamino-1-piperidin-4-ylpyrimidin-4-one?
2,6-diamino-1-piperidin-4-ylpyrimidin-4-one has a molecular weight of 209.25 g/mol, XLogP of -0.67, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diamino-1-piperidin-4-ylpyrimidin-4-one is sourced from PubChem (CID 140969377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).