2-tert-butyl-6-N-methyl-4-N-(1-methylcyclobutyl)pyrimidine-4,6-diamine

C14H24N4 — CID 113486258

IUPAC2-tert-butyl-6-N-methyl-4-N-(1-methylcyclobutyl)pyrimidine-4,6-diamine
SMILESCNc1cc(NC2(C)CCC2)nc(C(C)(C)C)n1
InChIInChI=1S/C14H24N4/c1-13(2,3)12-16-10(15-5)9-11(17-12)18-14(4)7-6-8-14/h9H,6-8H2,1-5H3,(H2,15,16,17,18)
InChIKeyVEOWGZLQWDCKSL-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.17
Rot. Bonds3

About 2-tert-butyl-6-N-methyl-4-N-(1-methylcyclobutyl)pyrimidine-4,6-diamine

2-tert-butyl-6-N-methyl-4-N-(1-methylcyclobutyl)pyrimidine-4,6-diamine (PubChem CID 113486258) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-tert-butyl-6-N-methyl-4-N-(1-methylcyclobutyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-6-N-methyl-4-N-(1-methylcyclobutyl)pyrimidine-4,6-diamine
PubChem CID113486258
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name2-tert-butyl-6-N-methyl-4-N-(1-methylcyclobutyl)pyrimidine-4,6-diamine
SMILESCNc1cc(NC2(C)CCC2)nc(C(C)(C)C)n1
InChIInChI=1S/C14H24N4/c1-13(2,3)12-16-10(15-5)9-11(17-12)18-14(4)7-6-8-14/h9H,6-8H2,1-5H3,(H2,15,16,17,18)
InChIKeyVEOWGZLQWDCKSL-UHFFFAOYSA-N
XLogP3.17
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol
CID 80957612
2-N-methyl-6-N-(1-methylcyclopentyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718696
2,6-ditert-butyl-N-methylpyrimidin-4-amine
CID 62192327
2-tert-butyl-6-(2,2-dimethylhydrazinyl)-N-methylpyrimidin-4-amine
CID 83024839
6-chloro-N-(1-methylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767917
6-N-ethyl-4-N-(1-methylcyclobutyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 113486283
2-N-methyl-6-N-(4-methyloxan-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719330
2-tert-butyl-6-N-methyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine
CID 80957241
2-tert-butyl-6-cyclopropyl-N-methylpyrimidin-4-amine
CID 63353528
2-tert-butyl-4-N-(3,3-dimethylbutan-2-yl)-6-N-methylpyrimidine-4,6-diamine
CID 104830549
2-tert-butyl-6-N-methyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80956274
2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpropan-1-ol
CID 80967917

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-N-methyl-4-N-(1-methylcyclobutyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-6-N-methyl-4-N-(1-methylcyclobutyl)pyrimidine-4,6-diamine (CID 113486258) is 2-tert-butyl-6-N-methyl-4-N-(1-methylcyclobutyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-6-N-methyl-4-N-(1-methylcyclobutyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-6-N-methyl-4-N-(1-methylcyclobutyl)pyrimidine-4,6-diamine is CNc1cc(NC2(C)CCC2)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-6-N-methyl-4-N-(1-methylcyclobutyl)pyrimidine-4,6-diamine?
The InChIKey is VEOWGZLQWDCKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-13(2,3)12-16-10(15-5)9-11(17-12)18-14(4)7-6-8-14/h9H,6-8H2,1-5H3,(H2,15,16,17,18).
What are the key properties of 2-tert-butyl-6-N-methyl-4-N-(1-methylcyclobutyl)pyrimidine-4,6-diamine?
2-tert-butyl-6-N-methyl-4-N-(1-methylcyclobutyl)pyrimidine-4,6-diamine has a molecular weight of 248.37 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-N-methyl-4-N-(1-methylcyclobutyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 113486258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).