4-N-cyclopentyl-6-methyl-4-N-(2-methylpropyl)-2-N-propylpyrimidine-2,4-diamine

C17H30N4 — CID 80838599

IUPAC4-N-cyclopentyl-6-methyl-4-N-(2-methylpropyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(C)cc(N(CC(C)C)C2CCCC2)n1
InChIInChI=1S/C17H30N4/c1-5-10-18-17-19-14(4)11-16(20-17)21(12-13(2)3)15-8-6-7-9-15/h11,13,15H,5-10,12H2,1-4H3,(H,18,19,20)
InChIKeyVEJWAJKMOUFINR-UHFFFAOYSA-N
MW290.46 g/mol
LogP4.01
Rot. Bonds7

About 4-N-cyclopentyl-6-methyl-4-N-(2-methylpropyl)-2-N-propylpyrimidine-2,4-diamine

4-N-cyclopentyl-6-methyl-4-N-(2-methylpropyl)-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80838599) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is 4-N-cyclopentyl-6-methyl-4-N-(2-methylpropyl)-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclopentyl-6-methyl-4-N-(2-methylpropyl)-2-N-propylpyrimidine-2,4-diamine
PubChem CID80838599
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC Name4-N-cyclopentyl-6-methyl-4-N-(2-methylpropyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(C)cc(N(CC(C)C)C2CCCC2)n1
InChIInChI=1S/C17H30N4/c1-5-10-18-17-19-14(4)11-16(20-17)21(12-13(2)3)15-8-6-7-9-15/h11,13,15H,5-10,12H2,1-4H3,(H,18,19,20)
InChIKeyVEJWAJKMOUFINR-UHFFFAOYSA-N
XLogP4.01
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-cyclopentyl-4-N-(2-methylpropyl)-2-N-propylpyrimidine-2,4-diamine
CID 80854535
4-N-cyclopropyl-2-N,6-dimethyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 80811378
6-chloro-2-N-cyclopentyl-2-N-(2-methylpropyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80838063
4-N,6-dimethyl-4-N-(3-methylbutyl)-2-N-propylpyrimidine-2,4-diamine
CID 80796012
2-[cyclopentyl(2-methylpropyl)amino]-6-methylpyridine-4-carbonitrile
CID 114766447
4-N,6-dimethyl-4-N-(3-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80793518
4-N-ethyl-6-methyl-4-N-(2-methylbutyl)-2-N-propylpyrimidine-2,4-diamine
CID 80849332
4-N,6-dimethyl-4-N-(oxan-2-ylmethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80796286
4-N-cyclobutyl-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80827135
4-N-cyclopentyl-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine
CID 80855037
4-N-cyclobutyl-4-N-methyl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565958
N-cyclopentyl-6-hydrazinyl-N-(2-methylpropyl)-2-propan-2-ylpyrimidin-4-amine
CID 80968904

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopentyl-6-methyl-4-N-(2-methylpropyl)-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclopentyl-6-methyl-4-N-(2-methylpropyl)-2-N-propylpyrimidine-2,4-diamine (CID 80838599) is 4-N-cyclopentyl-6-methyl-4-N-(2-methylpropyl)-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclopentyl-6-methyl-4-N-(2-methylpropyl)-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclopentyl-6-methyl-4-N-(2-methylpropyl)-2-N-propylpyrimidine-2,4-diamine is CCCNc1nc(C)cc(N(CC(C)C)C2CCCC2)n1.
What is the InChIKey of 4-N-cyclopentyl-6-methyl-4-N-(2-methylpropyl)-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is VEJWAJKMOUFINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-5-10-18-17-19-14(4)11-16(20-17)21(12-13(2)3)15-8-6-7-9-15/h11,13,15H,5-10,12H2,1-4H3,(H,18,19,20).
What are the key properties of 4-N-cyclopentyl-6-methyl-4-N-(2-methylpropyl)-2-N-propylpyrimidine-2,4-diamine?
4-N-cyclopentyl-6-methyl-4-N-(2-methylpropyl)-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 290.46 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopentyl-6-methyl-4-N-(2-methylpropyl)-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80838599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).