4-amino-5-[4-(aminomethyl)piperazin-1-yl]-2-methyl-1H-pyrimidin-6-one

C10H18N6O — CID 135450418

IUPAC4-amino-5-[4-(aminomethyl)piperazin-1-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N)c(N2CCN(CN)CC2)c(=O)[nH]1
InChIInChI=1S/C10H18N6O/c1-7-13-9(12)8(10(17)14-7)16-4-2-15(6-11)3-5-16/h2-6,11H2,1H3,(H3,12,13,14,17)
InChIKeyRZKWDPGBCLTDDG-UHFFFAOYSA-N
MW238.29 g/mol
LogP-1.30
Rot. Bonds2

About 4-amino-5-[4-(aminomethyl)piperazin-1-yl]-2-methyl-1H-pyrimidin-6-one

4-amino-5-[4-(aminomethyl)piperazin-1-yl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 135450418) has the molecular formula C10H18N6O and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-amino-5-[4-(aminomethyl)piperazin-1-yl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-5-[4-(aminomethyl)piperazin-1-yl]-2-methyl-1H-pyrimidin-6-one
PubChem CID135450418
Molecular FormulaC10H18N6O
Molecular Weight238.29 g/mol
Exact Mass238.15
IUPAC Name4-amino-5-[4-(aminomethyl)piperazin-1-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N)c(N2CCN(CN)CC2)c(=O)[nH]1
InChIInChI=1S/C10H18N6O/c1-7-13-9(12)8(10(17)14-7)16-4-2-15(6-11)3-5-16/h2-6,11H2,1H3,(H3,12,13,14,17)
InChIKeyRZKWDPGBCLTDDG-UHFFFAOYSA-N
XLogP-1.30
TPSA104.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-1.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[4-(aminomethyl)piperazin-1-yl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-5-[4-(aminomethyl)piperazin-1-yl]-2-methyl-1H-pyrimidin-6-one (CID 135450418) is 4-amino-5-[4-(aminomethyl)piperazin-1-yl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-5-[4-(aminomethyl)piperazin-1-yl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-5-[4-(aminomethyl)piperazin-1-yl]-2-methyl-1H-pyrimidin-6-one is Cc1nc(N)c(N2CCN(CN)CC2)c(=O)[nH]1.
What is the InChIKey of 4-amino-5-[4-(aminomethyl)piperazin-1-yl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is RZKWDPGBCLTDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O/c1-7-13-9(12)8(10(17)14-7)16-4-2-15(6-11)3-5-16/h2-6,11H2,1H3,(H3,12,13,14,17).
What are the key properties of 4-amino-5-[4-(aminomethyl)piperazin-1-yl]-2-methyl-1H-pyrimidin-6-one?
4-amino-5-[4-(aminomethyl)piperazin-1-yl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 238.29 g/mol, XLogP of -1.30, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[4-(aminomethyl)piperazin-1-yl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135450418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).