4-amino-6-[4-(aminomethyl)cyclohexyl]-1H-pyrimidin-2-one

C11H18N4O — CID 83857323

IUPAC4-amino-6-[4-(aminomethyl)cyclohexyl]-1H-pyrimidin-2-one
SMILESNCC1CCC(c2cc(N)nc(=O)[nH]2)CC1
InChIInChI=1S/C11H18N4O/c12-6-7-1-3-8(4-2-7)9-5-10(13)15-11(16)14-9/h5,7-8H,1-4,6,12H2,(H3,13,14,15,16)
InChIKeyCMMGYAUKVFWFLW-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.58
Rot. Bonds2

About 4-amino-6-[4-(aminomethyl)cyclohexyl]-1H-pyrimidin-2-one

4-amino-6-[4-(aminomethyl)cyclohexyl]-1H-pyrimidin-2-one (PubChem CID 83857323) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-amino-6-[4-(aminomethyl)cyclohexyl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-6-[4-(aminomethyl)cyclohexyl]-1H-pyrimidin-2-one
PubChem CID83857323
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name4-amino-6-[4-(aminomethyl)cyclohexyl]-1H-pyrimidin-2-one
SMILESNCC1CCC(c2cc(N)nc(=O)[nH]2)CC1
InChIInChI=1S/C11H18N4O/c12-6-7-1-3-8(4-2-7)9-5-10(13)15-11(16)14-9/h5,7-8H,1-4,6,12H2,(H3,13,14,15,16)
InChIKeyCMMGYAUKVFWFLW-UHFFFAOYSA-N
XLogP0.58
TPSA97.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[4-(aminomethyl)cyclohexyl]-1H-pyrimidin-2-one?
The IUPAC name of 4-amino-6-[4-(aminomethyl)cyclohexyl]-1H-pyrimidin-2-one (CID 83857323) is 4-amino-6-[4-(aminomethyl)cyclohexyl]-1H-pyrimidin-2-one.
What is the SMILES notation for 4-amino-6-[4-(aminomethyl)cyclohexyl]-1H-pyrimidin-2-one?
The canonical SMILES for 4-amino-6-[4-(aminomethyl)cyclohexyl]-1H-pyrimidin-2-one is NCC1CCC(c2cc(N)nc(=O)[nH]2)CC1.
What is the InChIKey of 4-amino-6-[4-(aminomethyl)cyclohexyl]-1H-pyrimidin-2-one?
The InChIKey is CMMGYAUKVFWFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c12-6-7-1-3-8(4-2-7)9-5-10(13)15-11(16)14-9/h5,7-8H,1-4,6,12H2,(H3,13,14,15,16).
What are the key properties of 4-amino-6-[4-(aminomethyl)cyclohexyl]-1H-pyrimidin-2-one?
4-amino-6-[4-(aminomethyl)cyclohexyl]-1H-pyrimidin-2-one has a molecular weight of 222.29 g/mol, XLogP of 0.58, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[4-(aminomethyl)cyclohexyl]-1H-pyrimidin-2-one is sourced from PubChem (CID 83857323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).