2-cyclopropyl-4-N-(1-cyclopropylethyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine

C17H28N4 — CID 80986615

IUPAC2-cyclopropyl-4-N-(1-cyclopropylethyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1nc(C2CC2)nc(N(C)C(C)C2CC2)c1C
InChIInChI=1S/C17H28N4/c1-5-10-18-15-11(2)17(20-16(19-15)14-8-9-14)21(4)12(3)13-6-7-13/h12-14H,5-10H2,1-4H3,(H,18,19,20)
InChIKeyIRJWGTUZIWRSQM-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.72
Rot. Bonds7

About 2-cyclopropyl-4-N-(1-cyclopropylethyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine

2-cyclopropyl-4-N-(1-cyclopropylethyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80986615) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-cyclopropyl-4-N-(1-cyclopropylethyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N-(1-cyclopropylethyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80986615
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name2-cyclopropyl-4-N-(1-cyclopropylethyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1nc(C2CC2)nc(N(C)C(C)C2CC2)c1C
InChIInChI=1S/C17H28N4/c1-5-10-18-15-11(2)17(20-16(19-15)14-8-9-14)21(4)12(3)13-6-7-13/h12-14H,5-10H2,1-4H3,(H,18,19,20)
InChIKeyIRJWGTUZIWRSQM-UHFFFAOYSA-N
XLogP3.72
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.72
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,5-dimethyl-4-N-pentan-3-yl-6-N-propylpyrimidine-4,6-diamine
CID 80986623
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
4-N-(1-cyclopropylethyl)-6-N-ethyl-4-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80793711
2-cyclopropyl-5-methyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80980633
2-cyclopropyl-5-methyl-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 80976122
1-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]propan-2-ol
CID 80982456
2-cyclopropyl-6-hydrazinyl-N,5-dimethyl-N-pentan-2-ylpyrimidin-4-amine
CID 80995701
2-cyclopropyl-6-hydrazinyl-5-methyl-N-propylpyrimidin-4-amine
CID 81000575
2-cyclopropyl-4-N,6-N,5-trimethyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine
CID 80982960
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-(1-cyclopropylethyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N-(1-cyclopropylethyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine (CID 80986615) is 2-cyclopropyl-4-N-(1-cyclopropylethyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N-(1-cyclopropylethyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N-(1-cyclopropylethyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1nc(C2CC2)nc(N(C)C(C)C2CC2)c1C.
What is the InChIKey of 2-cyclopropyl-4-N-(1-cyclopropylethyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is IRJWGTUZIWRSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-5-10-18-15-11(2)17(20-16(19-15)14-8-9-14)21(4)12(3)13-6-7-13/h12-14H,5-10H2,1-4H3,(H,18,19,20).
What are the key properties of 2-cyclopropyl-4-N-(1-cyclopropylethyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine?
2-cyclopropyl-4-N-(1-cyclopropylethyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 288.44 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-N-(1-cyclopropylethyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80986615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).