4-amino-5-[(cyclohexylamino)methyl]-2-methyl-1H-pyrimidin-6-one

C12H20N4O — CID 135510891

IUPAC4-amino-5-[(cyclohexylamino)methyl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N)c(CNC2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C12H20N4O/c1-8-15-11(13)10(12(17)16-8)7-14-9-5-3-2-4-6-9/h9,14H,2-7H2,1H3,(H3,13,15,16,17)
InChIKeyGOCFRUJHCBPIMN-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.08
Rot. Bonds3

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

4-amino-5-[(cyclohexylamino)methyl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 135510891) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-amino-5-[(cyclohexylamino)methyl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-5-[(cyclohexylamino)methyl]-2-methyl-1H-pyrimidin-6-one
PubChem CID135510891
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-amino-5-[(cyclohexylamino)methyl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N)c(CNC2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C12H20N4O/c1-8-15-11(13)10(12(17)16-8)7-14-9-5-3-2-4-6-9/h9,14H,2-7H2,1H3,(H3,13,15,16,17)
InChIKeyGOCFRUJHCBPIMN-UHFFFAOYSA-N
XLogP1.08
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[(cyclohexylamino)methyl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-5-[(cyclohexylamino)methyl]-2-methyl-1H-pyrimidin-6-one (CID 135510891) is 4-amino-5-[(cyclohexylamino)methyl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-5-[(cyclohexylamino)methyl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-5-[(cyclohexylamino)methyl]-2-methyl-1H-pyrimidin-6-one is Cc1nc(N)c(CNC2CCCCC2)c(=O)[nH]1.
What is the InChIKey of 4-amino-5-[(cyclohexylamino)methyl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is GOCFRUJHCBPIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8-15-11(13)10(12(17)16-8)7-14-9-5-3-2-4-6-9/h9,14H,2-7H2,1H3,(H3,13,15,16,17).
What are the key properties of 4-amino-5-[(cyclohexylamino)methyl]-2-methyl-1H-pyrimidin-6-one?
4-amino-5-[(cyclohexylamino)methyl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 236.32 g/mol, XLogP of 1.08, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[(cyclohexylamino)methyl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135510891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).