4-N-(cyclobutylmethyl)-6-N,5-dimethylpyrimidine-4,6-diamine

C11H18N4 — CID 80783503

IUPAC4-N-(cyclobutylmethyl)-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCNc1ncnc(NCC2CCC2)c1C
InChIInChI=1S/C11H18N4/c1-8-10(12-2)14-7-15-11(8)13-6-9-4-3-5-9/h7,9H,3-6H2,1-2H3,(H2,12,13,14,15)
InChIKeyODZIZVVVMICSDQ-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.04
Rot. Bonds4

About 4-N-(cyclobutylmethyl)-6-N,5-dimethylpyrimidine-4,6-diamine

4-N-(cyclobutylmethyl)-6-N,5-dimethylpyrimidine-4,6-diamine (PubChem CID 80783503) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-N-(cyclobutylmethyl)-6-N,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(cyclobutylmethyl)-6-N,5-dimethylpyrimidine-4,6-diamine
PubChem CID80783503
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name4-N-(cyclobutylmethyl)-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCNc1ncnc(NCC2CCC2)c1C
InChIInChI=1S/C11H18N4/c1-8-10(12-2)14-7-15-11(8)13-6-9-4-3-5-9/h7,9H,3-6H2,1-2H3,(H2,12,13,14,15)
InChIKeyODZIZVVVMICSDQ-UHFFFAOYSA-N
XLogP2.04
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(1,1-dioxothiolan-3-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80822810
4-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80777082
N-[(4-ethylcyclohexyl)methyl]-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80902835
5-[[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
CID 80836952
3-[[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 106138359
6-(3-ethylcyclohexyl)oxy-N,5-dimethylpyrimidin-4-amine
CID 80876542
1-cyclopropyl-2-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80830309
5-bromo-4-N-(cyclobutylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 114071957
4-N-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80791601
6-N,5-dimethyl-4-N-[(1-methylcyclopentyl)methyl]pyrimidine-4,6-diamine
CID 80846461
4-N-(cyclohexylmethyl)-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80771503
5-bromo-6-N-methyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,6-diamine
CID 114072331

Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclobutylmethyl)-6-N,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(cyclobutylmethyl)-6-N,5-dimethylpyrimidine-4,6-diamine (CID 80783503) is 4-N-(cyclobutylmethyl)-6-N,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(cyclobutylmethyl)-6-N,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(cyclobutylmethyl)-6-N,5-dimethylpyrimidine-4,6-diamine is CNc1ncnc(NCC2CCC2)c1C.
What is the InChIKey of 4-N-(cyclobutylmethyl)-6-N,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is ODZIZVVVMICSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-8-10(12-2)14-7-15-11(8)13-6-9-4-3-5-9/h7,9H,3-6H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 4-N-(cyclobutylmethyl)-6-N,5-dimethylpyrimidine-4,6-diamine?
4-N-(cyclobutylmethyl)-6-N,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 206.29 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclobutylmethyl)-6-N,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80783503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).