2-cyclopropyl-4-N,5-dimethyl-4-N-pentan-3-yl-6-N-propylpyrimidine-4,6-diamine

C17H30N4 — CID 80986623

IUPAC2-cyclopropyl-4-N,5-dimethyl-4-N-pentan-3-yl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1nc(C2CC2)nc(N(C)C(CC)CC)c1C
InChIInChI=1S/C17H30N4/c1-6-11-18-15-12(4)17(21(5)14(7-2)8-3)20-16(19-15)13-9-10-13/h13-14H,6-11H2,1-5H3,(H,18,19,20)
InChIKeyZSQCBAXVJMLVFB-UHFFFAOYSA-N
MW290.46 g/mol
LogP4.11
Rot. Bonds8

About 2-cyclopropyl-4-N,5-dimethyl-4-N-pentan-3-yl-6-N-propylpyrimidine-4,6-diamine

2-cyclopropyl-4-N,5-dimethyl-4-N-pentan-3-yl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80986623) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is 2-cyclopropyl-4-N,5-dimethyl-4-N-pentan-3-yl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N,5-dimethyl-4-N-pentan-3-yl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80986623
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC Name2-cyclopropyl-4-N,5-dimethyl-4-N-pentan-3-yl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1nc(C2CC2)nc(N(C)C(CC)CC)c1C
InChIInChI=1S/C17H30N4/c1-6-11-18-15-12(4)17(21(5)14(7-2)8-3)20-16(19-15)13-9-10-13/h13-14H,6-11H2,1-5H3,(H,18,19,20)
InChIKeyZSQCBAXVJMLVFB-UHFFFAOYSA-N
XLogP4.11
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
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

2-cyclopropyl-4-N,5-dimethyl-4-N-(3-methylbutan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80986619
2-cyclopropyl-4-N-(1-cyclopropylethyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80986615
2-ethyl-4-N,5-dimethyl-4-N-pentan-3-yl-6-N-propylpyrimidine-4,6-diamine
CID 80993430
2-cyclopropyl-4-N-[2-(dimethylamino)ethyl]-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80984916
2-cyclopropyl-4-N,5-dimethyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80987114
2-cyclopropyl-5-methyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80980633
2-cyclopropyl-6-hydrazinyl-5-methyl-N-propylpyrimidin-4-amine
CID 81000575
2-cyclopropyl-5-methyl-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 80976122
2-cyclopropyl-6-hydrazinyl-N,5-dimethyl-N-pentan-2-ylpyrimidin-4-amine
CID 80995701
2-cyclopropyl-4-N,6-N,5-trimethyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine
CID 80982960
4-N-butan-2-yl-2-cyclopropyl-4-N,6-N-diethyl-5-methylpyrimidine-4,6-diamine
CID 80994035
3-[[2-cyclopropyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpropan-1-ol
CID 80992823

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N,5-dimethyl-4-N-pentan-3-yl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N,5-dimethyl-4-N-pentan-3-yl-6-N-propylpyrimidine-4,6-diamine (CID 80986623) is 2-cyclopropyl-4-N,5-dimethyl-4-N-pentan-3-yl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N,5-dimethyl-4-N-pentan-3-yl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N,5-dimethyl-4-N-pentan-3-yl-6-N-propylpyrimidine-4,6-diamine is CCCNc1nc(C2CC2)nc(N(C)C(CC)CC)c1C.
What is the InChIKey of 2-cyclopropyl-4-N,5-dimethyl-4-N-pentan-3-yl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is ZSQCBAXVJMLVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-6-11-18-15-12(4)17(21(5)14(7-2)8-3)20-16(19-15)13-9-10-13/h13-14H,6-11H2,1-5H3,(H,18,19,20).
What are the key properties of 2-cyclopropyl-4-N,5-dimethyl-4-N-pentan-3-yl-6-N-propylpyrimidine-4,6-diamine?
2-cyclopropyl-4-N,5-dimethyl-4-N-pentan-3-yl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 290.46 g/mol, XLogP of 4.11, 8 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-pentan-3-yl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80986623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).