4-N-(1-cyclopropylethyl)-6-N-ethyl-4-N,2,5-trimethylpyrimidine-4,6-diamine

C14H24N4 — CID 80793711

IUPAC4-N-(1-cyclopropylethyl)-6-N-ethyl-4-N,2,5-trimethylpyrimidine-4,6-diamine
SMILESCCNc1nc(C)nc(N(C)C(C)C2CC2)c1C
InChIInChI=1S/C14H24N4/c1-6-15-13-9(2)14(17-11(4)16-13)18(5)10(3)12-7-8-12/h10,12H,6-8H2,1-5H3,(H,15,16,17)
InChIKeyGHZJNZSSAVXXIC-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.76
Rot. Bonds5

About 4-N-(1-cyclopropylethyl)-6-N-ethyl-4-N,2,5-trimethylpyrimidine-4,6-diamine

4-N-(1-cyclopropylethyl)-6-N-ethyl-4-N,2,5-trimethylpyrimidine-4,6-diamine (PubChem CID 80793711) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-N-(1-cyclopropylethyl)-6-N-ethyl-4-N,2,5-trimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(1-cyclopropylethyl)-6-N-ethyl-4-N,2,5-trimethylpyrimidine-4,6-diamine
PubChem CID80793711
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name4-N-(1-cyclopropylethyl)-6-N-ethyl-4-N,2,5-trimethylpyrimidine-4,6-diamine
SMILESCCNc1nc(C)nc(N(C)C(C)C2CC2)c1C
InChIInChI=1S/C14H24N4/c1-6-15-13-9(2)14(17-11(4)16-13)18(5)10(3)12-7-8-12/h10,12H,6-8H2,1-5H3,(H,15,16,17)
InChIKeyGHZJNZSSAVXXIC-UHFFFAOYSA-N
XLogP2.76
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-4-N-(1-cyclopropylethyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80986615
4-N,6-N-diethyl-2,5-dimethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 80774157
6-N-ethyl-4-N,2,5-trimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine
CID 80848595
6-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80836014
6-N-ethyl-4-N,2,5-trimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine
CID 80846682
4-N-(1-cyclopropylpropan-2-yl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
CID 80838415
4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-2,5-dimethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 80788923
4-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-N-ethyl-4-N,2,5-trimethylpyrimidine-4,6-diamine
CID 105420985
4-N-(3,3-dimethylbutan-2-yl)-4-N,2,5-trimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80815574
6-N-ethyl-2,5-dimethyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-4,6-diamine
CID 80837745
2-[cyclobutyl-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]ethanol
CID 102875765
1-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]propan-2-ol
CID 80982456

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-cyclopropylethyl)-6-N-ethyl-4-N,2,5-trimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(1-cyclopropylethyl)-6-N-ethyl-4-N,2,5-trimethylpyrimidine-4,6-diamine (CID 80793711) is 4-N-(1-cyclopropylethyl)-6-N-ethyl-4-N,2,5-trimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(1-cyclopropylethyl)-6-N-ethyl-4-N,2,5-trimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(1-cyclopropylethyl)-6-N-ethyl-4-N,2,5-trimethylpyrimidine-4,6-diamine is CCNc1nc(C)nc(N(C)C(C)C2CC2)c1C.
What is the InChIKey of 4-N-(1-cyclopropylethyl)-6-N-ethyl-4-N,2,5-trimethylpyrimidine-4,6-diamine?
The InChIKey is GHZJNZSSAVXXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-6-15-13-9(2)14(17-11(4)16-13)18(5)10(3)12-7-8-12/h10,12H,6-8H2,1-5H3,(H,15,16,17).
What are the key properties of 4-N-(1-cyclopropylethyl)-6-N-ethyl-4-N,2,5-trimethylpyrimidine-4,6-diamine?
4-N-(1-cyclopropylethyl)-6-N-ethyl-4-N,2,5-trimethylpyrimidine-4,6-diamine has a molecular weight of 248.37 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-cyclopropylethyl)-6-N-ethyl-4-N,2,5-trimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80793711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).