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

C14H24N4 — CID 80793618

IUPAC4-N-(1-cyclopropylethyl)-4-N,2-dimethyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(N(C)C(C)C2CC2)nc(C)n1
InChIInChI=1S/C14H24N4/c1-5-8-15-13-9-14(17-11(3)16-13)18(4)10(2)12-6-7-12/h9-10,12H,5-8H2,1-4H3,(H,15,16,17)
InChIKeyJJUHMTTYDMWPPI-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.84
Rot. Bonds6

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

4-N-(1-cyclopropylethyl)-4-N,2-dimethyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80793618) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-N-(1-cyclopropylethyl)-4-N,2-dimethyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(1-cyclopropylethyl)-4-N,2-dimethyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80793618
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name4-N-(1-cyclopropylethyl)-4-N,2-dimethyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(N(C)C(C)C2CC2)nc(C)n1
InChIInChI=1S/C14H24N4/c1-5-8-15-13-9-14(17-11(3)16-13)18(4)10(2)12-6-7-12/h9-10,12H,5-8H2,1-4H3,(H,15,16,17)
InChIKeyJJUHMTTYDMWPPI-UHFFFAOYSA-N
XLogP2.84
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyclopropylethyl)-N,2,6-trimethylpyrimidin-4-amine
CID 42949489
4-N-(1-cyclopropylethyl)-6-N-ethyl-4-N-methylpyrimidine-2,4,6-triamine
CID 80793610
2-cyclopropyl-4-N-methyl-4-N-(3-methylbutan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80967706
4-N,2-dimethyl-4-N-(oxolan-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 82746093
4-N,2-dimethyl-6-N-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80836659
2-methyl-3-[methyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]propanenitrile
CID 80809902
4-N,6-N,2-trimethyl-4-N-pentan-2-ylpyrimidine-4,6-diamine
CID 80793867
2-methyl-1-[methyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80848388
2-[cyclopentyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 80809845
2-methyl-4-N-(4-methylpentyl)-6-N-propylpyrimidine-4,6-diamine
CID 80831566
2-ethyl-4-N-methyl-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80933924
4-N-cyclopropyl-4-N-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80967123

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-cyclopropylethyl)-4-N,2-dimethyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(1-cyclopropylethyl)-4-N,2-dimethyl-6-N-propylpyrimidine-4,6-diamine (CID 80793618) is 4-N-(1-cyclopropylethyl)-4-N,2-dimethyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(1-cyclopropylethyl)-4-N,2-dimethyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(1-cyclopropylethyl)-4-N,2-dimethyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(N(C)C(C)C2CC2)nc(C)n1.
What is the InChIKey of 4-N-(1-cyclopropylethyl)-4-N,2-dimethyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is JJUHMTTYDMWPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-5-8-15-13-9-14(17-11(3)16-13)18(4)10(2)12-6-7-12/h9-10,12H,5-8H2,1-4H3,(H,15,16,17).
What are the key properties of 4-N-(1-cyclopropylethyl)-4-N,2-dimethyl-6-N-propylpyrimidine-4,6-diamine?
4-N-(1-cyclopropylethyl)-4-N,2-dimethyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 248.37 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-cyclopropylethyl)-4-N,2-dimethyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80793618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).