6-amino-5-(cyclohexylmethylamino)-1-methylpyrimidine-2,4-dione

C12H20N4O2 — CID 60649220

IUPAC6-amino-5-(cyclohexylmethylamino)-1-methylpyrimidine-2,4-dione
SMILESCn1c(N)c(NCC2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C12H20N4O2/c1-16-10(13)9(11(17)15-12(16)18)14-7-8-5-3-2-4-6-8/h8,14H,2-7,13H2,1H3,(H,15,17,18)
InChIKeyNXCUFUSSHIBJMH-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.65
Rot. Bonds3

About 6-amino-5-(cyclohexylmethylamino)-1-methylpyrimidine-2,4-dione

6-amino-5-(cyclohexylmethylamino)-1-methylpyrimidine-2,4-dione (PubChem CID 60649220) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 6-amino-5-(cyclohexylmethylamino)-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-(cyclohexylmethylamino)-1-methylpyrimidine-2,4-dione
PubChem CID60649220
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name6-amino-5-(cyclohexylmethylamino)-1-methylpyrimidine-2,4-dione
SMILESCn1c(N)c(NCC2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C12H20N4O2/c1-16-10(13)9(11(17)15-12(16)18)14-7-8-5-3-2-4-6-8/h8,14H,2-7,13H2,1H3,(H,15,17,18)
InChIKeyNXCUFUSSHIBJMH-UHFFFAOYSA-N
XLogP0.65
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-Amino-5-(butylamino)-1-(2-methylpropyl)-2,4(1H,3H)-pyrimidinedione
CID 3813450
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methylcyclopentanecarboxamide
CID 8918002
6-Amino-1-butyl-5-[(2-methylpropyl)amino]-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2384333
N-(6-amino-1-isobutyl-2,4-diketo-pyrimidin-5-yl)-N-butyl-2-cyclohexyl-acetamide
CID 25162059
6-Amino-1-(2-methylpropyl)-5-[(2-methylpropyl)amino]-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2366802
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-cyclohexyl-N-(2-methylpropyl)propanamide
CID 18084101
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclohexyl-N-(3-methylbutyl)acetamide
CID 24686522
N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-propylpentanamide
CID 977883
6-Amino-1-butyl-5-[(3-methylbutyl)amino]-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2341172
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)acetamide
CID 2697798
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-cyclohexyl-N-(2-methylpropyl)propanamide
CID 16279071
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclohexyl-N-(2-methylpropyl)acetamide
CID 24686446

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(cyclohexylmethylamino)-1-methylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-(cyclohexylmethylamino)-1-methylpyrimidine-2,4-dione (CID 60649220) is 6-amino-5-(cyclohexylmethylamino)-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-(cyclohexylmethylamino)-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-(cyclohexylmethylamino)-1-methylpyrimidine-2,4-dione is Cn1c(N)c(NCC2CCCCC2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-(cyclohexylmethylamino)-1-methylpyrimidine-2,4-dione?
The InChIKey is NXCUFUSSHIBJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-16-10(13)9(11(17)15-12(16)18)14-7-8-5-3-2-4-6-8/h8,14H,2-7,13H2,1H3,(H,15,17,18).
What are the key properties of 6-amino-5-(cyclohexylmethylamino)-1-methylpyrimidine-2,4-dione?
6-amino-5-(cyclohexylmethylamino)-1-methylpyrimidine-2,4-dione has a molecular weight of 252.32 g/mol, XLogP of 0.65, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(cyclohexylmethylamino)-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 60649220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).