2-cyclopropyl-4-N,5-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine

C14H24N4 — CID 80993505

IUPAC2-cyclopropyl-4-N,5-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine
SMILESCc1c(N)nc(C2CC2)nc1N(C)C(C)C(C)C
InChIInChI=1S/C14H24N4/c1-8(2)10(4)18(5)14-9(3)12(15)16-13(17-14)11-6-7-11/h8,10-11H,6-7H2,1-5H3,(H2,15,16,17)
InChIKeyCICMPWLXJHYIDC-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.73
Rot. Bonds4

About 2-cyclopropyl-4-N,5-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine

2-cyclopropyl-4-N,5-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine (PubChem CID 80993505) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-cyclopropyl-4-N,5-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N,5-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine
PubChem CID80993505
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name2-cyclopropyl-4-N,5-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine
SMILESCc1c(N)nc(C2CC2)nc1N(C)C(C)C(C)C
InChIInChI=1S/C14H24N4/c1-8(2)10(4)18(5)14-9(3)12(15)16-13(17-14)11-6-7-11/h8,10-11H,6-7H2,1-5H3,(H2,15,16,17)
InChIKeyCICMPWLXJHYIDC-UHFFFAOYSA-N
XLogP2.73
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-4-N,5-dimethyl-4-N-(3-methylbutan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80986619
2-tert-butyl-4-N,5-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80993251
2-cyclopropyl-4-N-(3,3-dimethylbutan-2-yl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine
CID 80982764
2-cyclopropyl-6-hydrazinyl-N,5-dimethyl-N-propan-2-ylpyrimidin-4-amine
CID 81000896
2-cyclopropyl-4-N,5-dimethyl-4-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 80983282
2-cyclopropyl-5-methyl-4-N-pentyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 80982959
2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
CID 80986308
2-cyclopropyl-4-N-ethyl-4-N-(2-ethylbutyl)-5-methylpyrimidine-4,6-diamine
CID 80987255
2-cyclopropyl-4-N,5-dimethyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,6-diamine
CID 80984918
5,6-dimethyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-amine
CID 65401369
2-cyclopropyl-4-N,5-dimethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 80982951
2-cyclopropyl-4-N-(4-ethylphenyl)-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80984675

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N,5-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N,5-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine (CID 80993505) is 2-cyclopropyl-4-N,5-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N,5-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N,5-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine is Cc1c(N)nc(C2CC2)nc1N(C)C(C)C(C)C.
What is the InChIKey of 2-cyclopropyl-4-N,5-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine?
The InChIKey is CICMPWLXJHYIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-8(2)10(4)18(5)14-9(3)12(15)16-13(17-14)11-6-7-11/h8,10-11H,6-7H2,1-5H3,(H2,15,16,17).
What are the key properties of 2-cyclopropyl-4-N,5-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine?
2-cyclopropyl-4-N,5-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine has a molecular weight of 248.37 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-N,5-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80993505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).