4-N-ethyl-6-methyl-4-N-(2-methylprop-2-enyl)pyrimidine-2,4-diamine

C11H18N4 — CID 103817578

IUPAC4-N-ethyl-6-methyl-4-N-(2-methylprop-2-enyl)pyrimidine-2,4-diamine
SMILESC=C(C)CN(CC)c1cc(C)nc(N)n1
InChIInChI=1S/C11H18N4/c1-5-15(7-8(2)3)10-6-9(4)13-11(12)14-10/h6H,2,5,7H2,1,3-4H3,(H2,12,13,14)
InChIKeyCKGRFXIGDHAECK-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.77
Rot. Bonds4

About 4-N-ethyl-6-methyl-4-N-(2-methylprop-2-enyl)pyrimidine-2,4-diamine

4-N-ethyl-6-methyl-4-N-(2-methylprop-2-enyl)pyrimidine-2,4-diamine (PubChem CID 103817578) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-N-ethyl-6-methyl-4-N-(2-methylprop-2-enyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-6-methyl-4-N-(2-methylprop-2-enyl)pyrimidine-2,4-diamine
PubChem CID103817578
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name4-N-ethyl-6-methyl-4-N-(2-methylprop-2-enyl)pyrimidine-2,4-diamine
SMILESC=C(C)CN(CC)c1cc(C)nc(N)n1
InChIInChI=1S/C11H18N4/c1-5-15(7-8(2)3)10-6-9(4)13-11(12)14-10/h6H,2,5,7H2,1,3-4H3,(H2,12,13,14)
InChIKeyCKGRFXIGDHAECK-UHFFFAOYSA-N
XLogP1.77
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-N-ethyl-4-N,6-dimethylpyrimidine-2,4-diamine
CID 80776362
[2-[ethyl(2-methylprop-2-enyl)amino]-4,6-dimethyl-3-pyridinyl]methanol
CID 61255388
2-[ethyl(2-methylprop-2-enyl)amino]-6-propylpyridine-4-carboxylic acid
CID 113380095
2-[ethyl(2-methylprop-2-enyl)amino]quinoline-4-carboxylic acid
CID 43332286
2-[(2-amino-6-chloropyrimidin-4-yl)-ethylamino]-N-methylacetamide
CID 79492398
2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-ethylamino]-N,N-dimethylacetamide
CID 80809651
[6-[ethyl(2-methylprop-2-enyl)amino]pyridazin-3-yl]methanol
CID 61255807
N'-(2,6-dimethylpyrimidin-4-yl)-N'-ethylethane-1,2-diamine
CID 63765131
4-N,4-N,6-N-triethylpyrimidine-2,4,6-triamine
CID 80767083
3-[(cyclopropylamino)methyl]-N-ethyl-4,6-dimethyl-N-(2-methylprop-2-enyl)pyridin-2-amine
CID 62279990
4,6-dimethylpyrimidin-2-amine;hydrochloride
CID 140629054
6-methyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-2,4-diamine
CID 80849194

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-6-methyl-4-N-(2-methylprop-2-enyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-ethyl-6-methyl-4-N-(2-methylprop-2-enyl)pyrimidine-2,4-diamine (CID 103817578) is 4-N-ethyl-6-methyl-4-N-(2-methylprop-2-enyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-6-methyl-4-N-(2-methylprop-2-enyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-6-methyl-4-N-(2-methylprop-2-enyl)pyrimidine-2,4-diamine is C=C(C)CN(CC)c1cc(C)nc(N)n1.
What is the InChIKey of 4-N-ethyl-6-methyl-4-N-(2-methylprop-2-enyl)pyrimidine-2,4-diamine?
The InChIKey is CKGRFXIGDHAECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-5-15(7-8(2)3)10-6-9(4)13-11(12)14-10/h6H,2,5,7H2,1,3-4H3,(H2,12,13,14).
What are the key properties of 4-N-ethyl-6-methyl-4-N-(2-methylprop-2-enyl)pyrimidine-2,4-diamine?
4-N-ethyl-6-methyl-4-N-(2-methylprop-2-enyl)pyrimidine-2,4-diamine has a molecular weight of 206.29 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-6-methyl-4-N-(2-methylprop-2-enyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 103817578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).