4-N-cyclopropyl-2-ethyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine

C17H30N4 — CID 80940294

IUPAC4-N-cyclopropyl-2-ethyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(N(CCC(C)C)C2CC2)nc(CC)n1
InChIInChI=1S/C17H30N4/c1-5-10-18-16-12-17(20-15(6-2)19-16)21(14-7-8-14)11-9-13(3)4/h12-14H,5-11H2,1-4H3,(H,18,19,20)
InChIKeyPFBFTKRQNKFKLA-UHFFFAOYSA-N
MW290.46 g/mol
LogP3.88
Rot. Bonds9

About 4-N-cyclopropyl-2-ethyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine

4-N-cyclopropyl-2-ethyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80940294) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is 4-N-cyclopropyl-2-ethyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-2-ethyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine
PubChem CID80940294
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC Name4-N-cyclopropyl-2-ethyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(N(CCC(C)C)C2CC2)nc(CC)n1
InChIInChI=1S/C17H30N4/c1-5-10-18-16-12-17(20-15(6-2)19-16)21(14-7-8-14)11-9-13(3)4/h12-14H,5-11H2,1-4H3,(H,18,19,20)
InChIKeyPFBFTKRQNKFKLA-UHFFFAOYSA-N
XLogP3.88
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-cyclohexyl-4-N,2-diethyl-6-N-propylpyrimidine-4,6-diamine
CID 80939490
4-N-cyclopentyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine
CID 80839751
2-ethyl-4-N-methyl-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80933924
4-N-methyl-4-N-(3-methylbutyl)-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80954589
2-tert-butyl-4-N-cyclopropyl-4-N,6-N-dipropylpyrimidine-4,6-diamine
CID 80960352
4-N-cyclopentyl-6-N-ethyl-2-methyl-4-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 80839121
2-ethyl-4-N-(4-methylpentyl)-6-N-propylpyrimidine-4,6-diamine
CID 80935431
3-[[2-ethyl-6-(propylamino)pyrimidin-4-yl]-(2-methylpropyl)amino]propanenitrile
CID 80940313
4-N-cyclopropyl-4-N-(cyclopropylmethyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80960250
5-N-cyclopropyl-5-N-(3-methylbutyl)-3-N-propylpyridine-3,5-diamine
CID 104533791
4-N-butyl-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80933822
4-N-[2-(dimethylamino)ethyl]-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80935287

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-2-ethyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopropyl-2-ethyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine (CID 80940294) is 4-N-cyclopropyl-2-ethyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopropyl-2-ethyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopropyl-2-ethyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(N(CCC(C)C)C2CC2)nc(CC)n1.
What is the InChIKey of 4-N-cyclopropyl-2-ethyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is PFBFTKRQNKFKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-5-10-18-16-12-17(20-15(6-2)19-16)21(14-7-8-14)11-9-13(3)4/h12-14H,5-11H2,1-4H3,(H,18,19,20).
What are the key properties of 4-N-cyclopropyl-2-ethyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine?
4-N-cyclopropyl-2-ethyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 290.46 g/mol, XLogP of 3.88, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-2-ethyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80940294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).