4-N-(1-cyclopropylpropan-2-yl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine

C14H24N4 — CID 80838415

IUPAC4-N-(1-cyclopropylpropan-2-yl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
SMILESCCNc1nc(C)nc(NC(C)CC2CC2)c1C
InChIInChI=1S/C14H24N4/c1-5-15-13-10(3)14(18-11(4)17-13)16-9(2)8-12-6-7-12/h9,12H,5-8H2,1-4H3,(H2,15,16,17,18)
InChIKeyIEXPRHFUZJHDHL-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.13
Rot. Bonds6

About 4-N-(1-cyclopropylpropan-2-yl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine

4-N-(1-cyclopropylpropan-2-yl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine (PubChem CID 80838415) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-N-(1-cyclopropylpropan-2-yl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(1-cyclopropylpropan-2-yl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
PubChem CID80838415
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name4-N-(1-cyclopropylpropan-2-yl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
SMILESCCNc1nc(C)nc(NC(C)CC2CC2)c1C
InChIInChI=1S/C14H24N4/c1-5-15-13-10(3)14(18-11(4)17-13)16-9(2)8-12-6-7-12/h9,12H,5-8H2,1-4H3,(H2,15,16,17,18)
InChIKeyIEXPRHFUZJHDHL-UHFFFAOYSA-N
XLogP3.13
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-4-N-(1-cyclopropylpropan-2-yl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80985371
N-(1-cyclopropylpropan-2-yl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 80911322
4-N-[1-(dimethylamino)propan-2-yl]-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
CID 82949713
4-N-(1-ethoxypropan-2-yl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
CID 80813302
6-N-ethyl-2,5-dimethyl-4-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80801137
4-N-(cyclohexylmethyl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
CID 80783839
3-[[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 106138103
N-(1-cyclopropylbutan-2-yl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 80911806
4-N-butan-2-yl-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80766465
4-N-(1-cyclopentylethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80835008
4-N-(1-cyclopropylethyl)-6-N-ethyl-4-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80793711
2-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]propan-1-ol
CID 80993320

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-cyclopropylpropan-2-yl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(1-cyclopropylpropan-2-yl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine (CID 80838415) is 4-N-(1-cyclopropylpropan-2-yl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(1-cyclopropylpropan-2-yl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(1-cyclopropylpropan-2-yl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine is CCNc1nc(C)nc(NC(C)CC2CC2)c1C.
What is the InChIKey of 4-N-(1-cyclopropylpropan-2-yl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is IEXPRHFUZJHDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-5-15-13-10(3)14(18-11(4)17-13)16-9(2)8-12-6-7-12/h9,12H,5-8H2,1-4H3,(H2,15,16,17,18).
What are the key properties of 4-N-(1-cyclopropylpropan-2-yl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine?
4-N-(1-cyclopropylpropan-2-yl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 248.37 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-cyclopropylpropan-2-yl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80838415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).