5-amino-4-(4-aminopiperidin-1-yl)-1H-pyrimidin-6-one

C9H15N5O — CID 136958165

IUPAC5-amino-4-(4-aminopiperidin-1-yl)-1H-pyrimidin-6-one
SMILESNc1c(N2CCC(N)CC2)nc[nH]c1=O
InChIInChI=1S/C9H15N5O/c10-6-1-3-14(4-2-6)8-7(11)9(15)13-5-12-8/h5-6H,1-4,10-11H2,(H,12,13,15)
InChIKeyVVCWZEXTJOCXPI-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.72
Rot. Bonds1

About 5-amino-4-(4-aminopiperidin-1-yl)-1H-pyrimidin-6-one

5-amino-4-(4-aminopiperidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136958165) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is 5-amino-4-(4-aminopiperidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(4-aminopiperidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136958165
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name5-amino-4-(4-aminopiperidin-1-yl)-1H-pyrimidin-6-one
SMILESNc1c(N2CCC(N)CC2)nc[nH]c1=O
InChIInChI=1S/C9H15N5O/c10-6-1-3-14(4-2-6)8-7(11)9(15)13-5-12-8/h5-6H,1-4,10-11H2,(H,12,13,15)
InChIKeyVVCWZEXTJOCXPI-UHFFFAOYSA-N
XLogP-0.72
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 ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-Aminopiperidin-1-yl)-3,4-dihydropyrimidin-4-one dihydrochloride
CID 139026488
Methylenetetrahydromethanopterin
CID 135886615
6(s)-Propyl-tetrahydropterin
CID 135518060
4-(6,8-Dioxo-1,7-dihydropurin-9-yl)piperidine-1-carbaldehyde
CID 135733724
2,5-diamino-4-piperidin-1-yl-1H-pyrimidin-6-one
CID 135850741
9-(1-Propan-2-ylpiperidin-4-yl)-1,7-dihydropurine-6,8-dione
CID 135971554
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
4,5-bis(pentylamino)-1H-pyrimidin-6-one
CID 136423435
9-Piperidin-4-yl-1,7-dihydropurine-6,8-dione
CID 136612257
6-(4-Aminopiperidin-1-yl)-3,4-dihydropyrimidin-4-one
CID 136958169

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(4-aminopiperidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(4-aminopiperidin-1-yl)-1H-pyrimidin-6-one (CID 136958165) is 5-amino-4-(4-aminopiperidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(4-aminopiperidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(4-aminopiperidin-1-yl)-1H-pyrimidin-6-one is Nc1c(N2CCC(N)CC2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-(4-aminopiperidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is VVCWZEXTJOCXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c10-6-1-3-14(4-2-6)8-7(11)9(15)13-5-12-8/h5-6H,1-4,10-11H2,(H,12,13,15).
What are the key properties of 5-amino-4-(4-aminopiperidin-1-yl)-1H-pyrimidin-6-one?
5-amino-4-(4-aminopiperidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 209.25 g/mol, XLogP of -0.72, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(4-aminopiperidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136958165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).