4-(aminomethyl)-2-[(piperidin-4-ylamino)methyl]-1H-pyrimidin-6-one

C11H19N5O — CID 154842668

IUPAC4-(aminomethyl)-2-[(piperidin-4-ylamino)methyl]-1H-pyrimidin-6-one
SMILESNCc1cc(=O)[nH]c(CNC2CCNCC2)n1
InChIInChI=1S/C11H19N5O/c12-6-9-5-11(17)16-10(15-9)7-14-8-1-3-13-4-2-8/h5,8,13-14H,1-4,6-7,12H2,(H,15,16,17)
InChIKeySQYHAKJMGYRAEM-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.93
Rot. Bonds4

About 4-(aminomethyl)-2-[(piperidin-4-ylamino)methyl]-1H-pyrimidin-6-one

4-(aminomethyl)-2-[(piperidin-4-ylamino)methyl]-1H-pyrimidin-6-one (PubChem CID 154842668) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 4-(aminomethyl)-2-[(piperidin-4-ylamino)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(aminomethyl)-2-[(piperidin-4-ylamino)methyl]-1H-pyrimidin-6-one
PubChem CID154842668
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name4-(aminomethyl)-2-[(piperidin-4-ylamino)methyl]-1H-pyrimidin-6-one
SMILESNCc1cc(=O)[nH]c(CNC2CCNCC2)n1
InChIInChI=1S/C11H19N5O/c12-6-9-5-11(17)16-10(15-9)7-14-8-1-3-13-4-2-8/h5,8,13-14H,1-4,6-7,12H2,(H,15,16,17)
InChIKeySQYHAKJMGYRAEM-UHFFFAOYSA-N
XLogP-0.93
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-[(piperidin-4-ylamino)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-(aminomethyl)-2-[(piperidin-4-ylamino)methyl]-1H-pyrimidin-6-one (CID 154842668) is 4-(aminomethyl)-2-[(piperidin-4-ylamino)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(aminomethyl)-2-[(piperidin-4-ylamino)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-(aminomethyl)-2-[(piperidin-4-ylamino)methyl]-1H-pyrimidin-6-one is NCc1cc(=O)[nH]c(CNC2CCNCC2)n1.
What is the InChIKey of 4-(aminomethyl)-2-[(piperidin-4-ylamino)methyl]-1H-pyrimidin-6-one?
The InChIKey is SQYHAKJMGYRAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c12-6-9-5-11(17)16-10(15-9)7-14-8-1-3-13-4-2-8/h5,8,13-14H,1-4,6-7,12H2,(H,15,16,17).
What are the key properties of 4-(aminomethyl)-2-[(piperidin-4-ylamino)methyl]-1H-pyrimidin-6-one?
4-(aminomethyl)-2-[(piperidin-4-ylamino)methyl]-1H-pyrimidin-6-one has a molecular weight of 237.31 g/mol, XLogP of -0.93, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-[(piperidin-4-ylamino)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 154842668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).