2-[(dimethylamino)methyl]-N-ethyl-6-propan-2-ylpyrimidin-4-amine

C12H22N4 — CID 79088441

IUPAC2-[(dimethylamino)methyl]-N-ethyl-6-propan-2-ylpyrimidin-4-amine
SMILESCCNc1cc(C(C)C)nc(CN(C)C)n1
InChIInChI=1S/C12H22N4/c1-6-13-11-7-10(9(2)3)14-12(15-11)8-16(4)5/h7,9H,6,8H2,1-5H3,(H,13,14,15)
InChIKeyZMMHWKLZGQRPCF-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.09
Rot. Bonds5

About 2-[(dimethylamino)methyl]-N-ethyl-6-propan-2-ylpyrimidin-4-amine

2-[(dimethylamino)methyl]-N-ethyl-6-propan-2-ylpyrimidin-4-amine (PubChem CID 79088441) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-N-ethyl-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-N-ethyl-6-propan-2-ylpyrimidin-4-amine
PubChem CID79088441
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name2-[(dimethylamino)methyl]-N-ethyl-6-propan-2-ylpyrimidin-4-amine
SMILESCCNc1cc(C(C)C)nc(CN(C)C)n1
InChIInChI=1S/C12H22N4/c1-6-13-11-7-10(9(2)3)14-12(15-11)8-16(4)5/h7,9H,6,8H2,1-5H3,(H,13,14,15)
InChIKeyZMMHWKLZGQRPCF-UHFFFAOYSA-N
XLogP2.09
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(dimethylamino)methyl]-N-ethyl-6-propan-2-ylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(dimethylamino)methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 79089446
2-[(4-chlorophenyl)methyl]-N-ethyl-6-propan-2-ylpyrimidin-4-amine
CID 63484706
N-ethyl-2,6-di(propan-2-yl)pyrimidin-4-amine
CID 62191637
N-ethyl-2-methyl-6-propan-2-ylpyrimidin-4-amine
CID 62191118
N-ethyl-6-propan-2-yl-2-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 63485062
N-ethyl-2-[(3-methylphenyl)sulfanylmethyl]-6-propan-2-ylpyrimidin-4-amine
CID 66087219
2-ethyl-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 62192702
2-cyclopentyl-N-ethyl-6-propan-2-ylpyrimidin-4-amine
CID 55045869
N-ethyl-2-phenyl-6-propan-2-ylpyrimidin-4-amine
CID 62191461
3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl-methylamino]-2-methylpropanenitrile
CID 80658310
2-benzyl-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 63485421
N-ethyl-6-propan-2-yl-2-(1,3-thiazol-2-yl)pyrimidin-4-amine
CID 113373108

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-N-ethyl-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 2-[(dimethylamino)methyl]-N-ethyl-6-propan-2-ylpyrimidin-4-amine (CID 79088441) is 2-[(dimethylamino)methyl]-N-ethyl-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-[(dimethylamino)methyl]-N-ethyl-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-[(dimethylamino)methyl]-N-ethyl-6-propan-2-ylpyrimidin-4-amine is CCNc1cc(C(C)C)nc(CN(C)C)n1.
What is the InChIKey of 2-[(dimethylamino)methyl]-N-ethyl-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is ZMMHWKLZGQRPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-6-13-11-7-10(9(2)3)14-12(15-11)8-16(4)5/h7,9H,6,8H2,1-5H3,(H,13,14,15).
What are the key properties of 2-[(dimethylamino)methyl]-N-ethyl-6-propan-2-ylpyrimidin-4-amine?
2-[(dimethylamino)methyl]-N-ethyl-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 222.34 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-N-ethyl-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 79088441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).