2-cyclopropyl-4-N-(3-ethylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine

C17H30N4 — CID 80959196

IUPAC2-cyclopropyl-4-N-(3-ethylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NC(CC)(CC)CC)nc(C2CC2)n1
InChIInChI=1S/C17H30N4/c1-5-11-18-14-12-15(20-16(19-14)13-9-10-13)21-17(6-2,7-3)8-4/h12-13H,5-11H2,1-4H3,(H2,18,19,20,21)
InChIKeyNAWLCMVQTXHVJP-UHFFFAOYSA-N
MW290.46 g/mol
LogP4.56
Rot. Bonds9

About 2-cyclopropyl-4-N-(3-ethylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine

2-cyclopropyl-4-N-(3-ethylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80959196) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is 2-cyclopropyl-4-N-(3-ethylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N-(3-ethylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine
PubChem CID80959196
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC Name2-cyclopropyl-4-N-(3-ethylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NC(CC)(CC)CC)nc(C2CC2)n1
InChIInChI=1S/C17H30N4/c1-5-11-18-14-12-15(20-16(19-14)13-9-10-13)21-17(6-2,7-3)8-4/h12-13H,5-11H2,1-4H3,(H2,18,19,20,21)
InChIKeyNAWLCMVQTXHVJP-UHFFFAOYSA-N
XLogP4.56
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-3-methylpentan-1-ol
CID 106179075
2-cyclopropyl-6-N-ethyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80955815
3-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol
CID 115366436
2-cyclopropyl-4-N-propylpyrimidine-4,6-diamine
CID 80956858
2-cyclohexyl-6-cyclopropyl-N-propylpyrimidin-4-amine
CID 63486677
2-cyclopropyl-4-N-(1-methylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine
CID 80967565
2-cyclopropyl-6-N-methyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80955816
2-cyclopropyl-4-N-(3-propoxypropyl)-6-N-propylpyrimidine-4,6-diamine
CID 82941617
2-cyclopropyl-4-N-[3-(dimethylamino)propyl]-6-N-propylpyrimidine-4,6-diamine
CID 80966841
2-cyclopropyl-4-N-(1-cyclopropylpropan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80959925
2-cyclopropyl-4-N,4-N-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80955746
6-cyclopropyl-2-(4-methylcyclohexyl)-N-propylpyrimidin-4-amine
CID 63486835

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N-(3-ethylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N-(3-ethylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine (CID 80959196) is 2-cyclopropyl-4-N-(3-ethylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N-(3-ethylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N-(3-ethylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(NC(CC)(CC)CC)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-N-(3-ethylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is NAWLCMVQTXHVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-5-11-18-14-12-15(20-16(19-14)13-9-10-13)21-17(6-2,7-3)8-4/h12-13H,5-11H2,1-4H3,(H2,18,19,20,21).
What are the key properties of 2-cyclopropyl-4-N-(3-ethylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine?
2-cyclopropyl-4-N-(3-ethylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 290.46 g/mol, XLogP of 4.56, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-N-(3-ethylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80959196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).