4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine

C12H23N5 — CID 80834597

IUPAC4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(N(C)CCN(C)C)c1C
InChIInChI=1S/C12H23N5/c1-6-13-11-10(2)12(15-9-14-11)17(5)8-7-16(3)4/h9H,6-8H2,1-5H3,(H,13,14,15)
InChIKeyNOISDMRHOKLLSM-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.21
Rot. Bonds6

About 4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine

4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine (PubChem CID 80834597) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine
PubChem CID80834597
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(N(C)CCN(C)C)c1C
InChIInChI=1S/C12H23N5/c1-6-13-11-10(2)12(15-9-14-11)17(5)8-7-16(3)4/h9H,6-8H2,1-5H3,(H,13,14,15)
InChIKeyNOISDMRHOKLLSM-UHFFFAOYSA-N
XLogP1.21
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine 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-[[6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]ethanol
CID 80771507
4-N-[3-(dimethylamino)propyl]-4-N,6-N,5-trimethylpyrimidine-4,6-diamine
CID 80845427
4-N-(cyclohexylmethyl)-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80799644
6-N-ethyl-4-N,5-dimethyl-4-N-pentan-2-ylpyrimidine-4,6-diamine
CID 80792480
4-N-butyl-4-N,6-N-diethyl-5-methylpyrimidine-4,6-diamine
CID 80757752
4-N-(2-ethoxyethyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 81068418
6-N-ethyl-4-N,5-dimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine
CID 80848832
2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]ethanol
CID 80771706
N'-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 80909904
4-N,5-dimethyl-4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80850244
4-N-cyclohexyl-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80761845
4-N-[2-(cyclopropylmethoxy)ethyl]-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80851876

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine (CID 80834597) is 4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine is CCNc1ncnc(N(C)CCN(C)C)c1C.
What is the InChIKey of 4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is NOISDMRHOKLLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-6-13-11-10(2)12(15-9-14-11)17(5)8-7-16(3)4/h9H,6-8H2,1-5H3,(H,13,14,15).
What are the key properties of 4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine?
4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 237.35 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80834597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).