4-N-(1-cyclopropylethyl)-6-N-ethyl-4-N-methylpyrimidine-2,4,6-triamine

C12H21N5 — CID 80793610

IUPAC4-N-(1-cyclopropylethyl)-6-N-ethyl-4-N-methylpyrimidine-2,4,6-triamine
SMILESCCNc1cc(N(C)C(C)C2CC2)nc(N)n1
InChIInChI=1S/C12H21N5/c1-4-14-10-7-11(16-12(13)15-10)17(3)8(2)9-5-6-9/h7-9H,4-6H2,1-3H3,(H3,13,14,15,16)
InChIKeyMZYRDMPACBSMGU-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.73
Rot. Bonds5

About 4-N-(1-cyclopropylethyl)-6-N-ethyl-4-N-methylpyrimidine-2,4,6-triamine

4-N-(1-cyclopropylethyl)-6-N-ethyl-4-N-methylpyrimidine-2,4,6-triamine (PubChem CID 80793610) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-N-(1-cyclopropylethyl)-6-N-ethyl-4-N-methylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(1-cyclopropylethyl)-6-N-ethyl-4-N-methylpyrimidine-2,4,6-triamine
PubChem CID80793610
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name4-N-(1-cyclopropylethyl)-6-N-ethyl-4-N-methylpyrimidine-2,4,6-triamine
SMILESCCNc1cc(N(C)C(C)C2CC2)nc(N)n1
InChIInChI=1S/C12H21N5/c1-4-14-10-7-11(16-12(13)15-10)17(3)8(2)9-5-6-9/h7-9H,4-6H2,1-3H3,(H3,13,14,15,16)
InChIKeyMZYRDMPACBSMGU-UHFFFAOYSA-N
XLogP1.73
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-(1-cyclopropylethyl)-6-N-ethyl-4-N-methylpyrimidine-2,4,6-triamine 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

4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-propan-2-ylpyrimidine-2,4,6-triamine
CID 80820583
4-N-(1-cyclopropylethyl)-4-N,2-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80793618
4-N-(cyclobutylmethyl)-6-N-ethyl-4-N-methylpyrimidine-2,4,6-triamine
CID 80825415
4-N-(cyclohexylmethyl)-6-N-ethyl-4-N-methylpyrimidine-2,4,6-triamine
CID 80799499
4-N,4-N,6-N-triethylpyrimidine-2,4,6-triamine
CID 80767083
4-N-butan-2-yl-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80776337
4-N-butan-2-yl-2-cyclopropyl-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80967225
4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-propylpyrimidine-2,4,6-triamine
CID 80799090
4-N-(3,3-dimethylbutan-2-yl)-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80815573
6-N-ethyl-4-N-methyl-4-N-phenylpyrimidine-2,4,6-triamine
CID 80767341
4-N-cyclopropyl-6-N-ethylpyrimidine-2,4,6-triamine
CID 80766375
4-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N-ethylpyrimidine-2,4,6-triamine
CID 80823298

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-cyclopropylethyl)-6-N-ethyl-4-N-methylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-(1-cyclopropylethyl)-6-N-ethyl-4-N-methylpyrimidine-2,4,6-triamine (CID 80793610) is 4-N-(1-cyclopropylethyl)-6-N-ethyl-4-N-methylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-(1-cyclopropylethyl)-6-N-ethyl-4-N-methylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-(1-cyclopropylethyl)-6-N-ethyl-4-N-methylpyrimidine-2,4,6-triamine is CCNc1cc(N(C)C(C)C2CC2)nc(N)n1.
What is the InChIKey of 4-N-(1-cyclopropylethyl)-6-N-ethyl-4-N-methylpyrimidine-2,4,6-triamine?
The InChIKey is MZYRDMPACBSMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-4-14-10-7-11(16-12(13)15-10)17(3)8(2)9-5-6-9/h7-9H,4-6H2,1-3H3,(H3,13,14,15,16).
What are the key properties of 4-N-(1-cyclopropylethyl)-6-N-ethyl-4-N-methylpyrimidine-2,4,6-triamine?
4-N-(1-cyclopropylethyl)-6-N-ethyl-4-N-methylpyrimidine-2,4,6-triamine has a molecular weight of 235.33 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-cyclopropylethyl)-6-N-ethyl-4-N-methylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 80793610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).