4-N-cyclopentyl-4-N,5-dimethyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine

C17H30N4 — CID 80985807

IUPAC4-N-cyclopentyl-4-N,5-dimethyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1nc(C(C)C)nc(N(C)C2CCCC2)c1C
InChIInChI=1S/C17H30N4/c1-6-11-18-16-13(4)17(20-15(19-16)12(2)3)21(5)14-9-7-8-10-14/h12,14H,6-11H2,1-5H3,(H,18,19,20)
InChIKeyMQXHJKAKLJZNOP-UHFFFAOYSA-N
MW290.46 g/mol
LogP4.11
Rot. Bonds6

About 4-N-cyclopentyl-4-N,5-dimethyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine

4-N-cyclopentyl-4-N,5-dimethyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80985807) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is 4-N-cyclopentyl-4-N,5-dimethyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopentyl-4-N,5-dimethyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80985807
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC Name4-N-cyclopentyl-4-N,5-dimethyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1nc(C(C)C)nc(N(C)C2CCCC2)c1C
InChIInChI=1S/C17H30N4/c1-6-11-18-16-13(4)17(20-15(19-16)12(2)3)21(5)14-9-7-8-10-14/h12,14H,6-11H2,1-5H3,(H,18,19,20)
InChIKeyMQXHJKAKLJZNOP-UHFFFAOYSA-N
XLogP4.11
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N,5-dimethyl-4-N-[(2-methylcyclopropyl)methyl]-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80985609
4-N-cyclopentyl-6-N-ethyl-4-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80993281
4-N-butyl-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80980995
2-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 80981937
4-N-(2,2-dimethylcyclopropyl)-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80982653
4-N-(cyclobutylmethyl)-4-N,6-N,5-trimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80983277
4-N-(3,3-dimethylbutan-2-yl)-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 104830615
N-cyclopropyl-6-hydrazinyl-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80995786
2-methyl-3-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80991979
5-methyl-4-N-(3-methylsulfanylpropyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80984789
6-N-ethyl-4-N,5-dimethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80993169
4-N-(4,4-dimethylcyclohexyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80839629

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopentyl-4-N,5-dimethyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopentyl-4-N,5-dimethyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine (CID 80985807) is 4-N-cyclopentyl-4-N,5-dimethyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopentyl-4-N,5-dimethyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopentyl-4-N,5-dimethyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine is CCCNc1nc(C(C)C)nc(N(C)C2CCCC2)c1C.
What is the InChIKey of 4-N-cyclopentyl-4-N,5-dimethyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is MQXHJKAKLJZNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-6-11-18-16-13(4)17(20-15(19-16)12(2)3)21(5)14-9-7-8-10-14/h12,14H,6-11H2,1-5H3,(H,18,19,20).
What are the key properties of 4-N-cyclopentyl-4-N,5-dimethyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine?
4-N-cyclopentyl-4-N,5-dimethyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 290.46 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopentyl-4-N,5-dimethyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80985807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).