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

C9H15N5O — CID 135933881

IUPAC2-amino-4-(4-aminopiperidin-1-yl)-1H-pyrimidin-6-one
SMILESNc1nc(N2CCC(N)CC2)cc(=O)[nH]1
InChIInChI=1S/C9H15N5O/c10-6-1-3-14(4-2-6)7-5-8(15)13-9(11)12-7/h5-6H,1-4,10H2,(H3,11,12,13,15)
InChIKeyVPCLCSUKHHOXBJ-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.72
Rot. Bonds1

About 2-amino-4-(4-aminopiperidin-1-yl)-1H-pyrimidin-6-one

2-amino-4-(4-aminopiperidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 135933881) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-amino-4-(4-aminopiperidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(4-aminopiperidin-1-yl)-1H-pyrimidin-6-one
PubChem CID135933881
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name2-amino-4-(4-aminopiperidin-1-yl)-1H-pyrimidin-6-one
SMILESNc1nc(N2CCC(N)CC2)cc(=O)[nH]1
InChIInChI=1S/C9H15N5O/c10-6-1-3-14(4-2-6)7-5-8(15)13-9(11)12-7/h5-6H,1-4,10H2,(H3,11,12,13,15)
InChIKeyVPCLCSUKHHOXBJ-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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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-aminopiperidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-(4-aminopiperidin-1-yl)-1H-pyrimidin-6-one (CID 135933881) is 2-amino-4-(4-aminopiperidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(4-aminopiperidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-(4-aminopiperidin-1-yl)-1H-pyrimidin-6-one is Nc1nc(N2CCC(N)CC2)cc(=O)[nH]1.
What is the InChIKey of 2-amino-4-(4-aminopiperidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is VPCLCSUKHHOXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c10-6-1-3-14(4-2-6)7-5-8(15)13-9(11)12-7/h5-6H,1-4,10H2,(H3,11,12,13,15).
What are the key properties of 2-amino-4-(4-aminopiperidin-1-yl)-1H-pyrimidin-6-one?
2-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 2-amino-4-(4-aminopiperidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135933881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).