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

C11H18N4 — CID 80825254

IUPAC4-N-(cyclobutylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
SMILESCNc1cc(N(C)CC2CCC2)ncn1
InChIInChI=1S/C11H18N4/c1-12-10-6-11(14-8-13-10)15(2)7-9-4-3-5-9/h6,8-9H,3-5,7H2,1-2H3,(H,12,13,14)
InChIKeyPSMBWRRPXKIFGF-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.75
Rot. Bonds4

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

4-N-(cyclobutylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine (PubChem CID 80825254) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-N-(cyclobutylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(cyclobutylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
PubChem CID80825254
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name4-N-(cyclobutylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
SMILESCNc1cc(N(C)CC2CCC2)ncn1
InChIInChI=1S/C11H18N4/c1-12-10-6-11(14-8-13-10)15(2)7-9-4-3-5-9/h6,8-9H,3-5,7H2,1-2H3,(H,12,13,14)
InChIKeyPSMBWRRPXKIFGF-UHFFFAOYSA-N
XLogP1.75
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[6-[cyclopentylmethyl(methyl)amino]pyrimidin-4-yl]amino]acetonitrile
CID 115264894
6-chloro-N-(cyclobutylmethyl)-N-methylpyrimidin-4-amine
CID 62856781
2-tert-butyl-4-N-(cyclobutylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80957316
4-N-(cyclopropylmethyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80796879
4-N-(cyclobutylmethyl)-4-N,6-N-dimethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771813
4-N-(2-aminopropyl)-6-N-(cyclobutylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 115265897
4-N,6-N-dimethyl-4-N-[2-(oxan-4-yl)ethyl]pyrimidine-4,6-diamine
CID 115265595
[6-[methyl(oxan-4-ylmethyl)amino]pyrimidin-4-yl]cyanamide
CID 115264692
4-N-cyclopropyl-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80775441
5-[[6-[cyclohexylmethyl(methyl)amino]pyrimidin-4-yl]amino]pyrazine-2-carbonitrile
CID 153263770
4-N-[3-(dimethylamino)propyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80845621
2-[cyclopentyl-[6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80810613

Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclobutylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(cyclobutylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine (CID 80825254) is 4-N-(cyclobutylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(cyclobutylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(cyclobutylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine is CNc1cc(N(C)CC2CCC2)ncn1.
What is the InChIKey of 4-N-(cyclobutylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine?
The InChIKey is PSMBWRRPXKIFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-12-10-6-11(14-8-13-10)15(2)7-9-4-3-5-9/h6,8-9H,3-5,7H2,1-2H3,(H,12,13,14).
What are the key properties of 4-N-(cyclobutylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine?
4-N-(cyclobutylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine has a molecular weight of 206.29 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclobutylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80825254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).