N-[[1-(aminomethyl)cyclopropyl]methyl]-6-ethyl-2-methylpyrimidin-4-amine

C12H20N4 — CID 115457082

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-6-ethyl-2-methylpyrimidin-4-amine
SMILESCCc1cc(NCC2(CN)CC2)nc(C)n1
InChIInChI=1S/C12H20N4/c1-3-10-6-11(16-9(2)15-10)14-8-12(7-13)4-5-12/h6H,3-5,7-8,13H2,1-2H3,(H,14,15,16)
InChIKeyCBSRYIUBDVQPNN-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.50
Rot. Bonds5

About N-[[1-(aminomethyl)cyclopropyl]methyl]-6-ethyl-2-methylpyrimidin-4-amine

N-[[1-(aminomethyl)cyclopropyl]methyl]-6-ethyl-2-methylpyrimidin-4-amine (PubChem CID 115457082) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-6-ethyl-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-6-ethyl-2-methylpyrimidin-4-amine
PubChem CID115457082
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-6-ethyl-2-methylpyrimidin-4-amine
SMILESCCc1cc(NCC2(CN)CC2)nc(C)n1
InChIInChI=1S/C12H20N4/c1-3-10-6-11(16-9(2)15-10)14-8-12(7-13)4-5-12/h6H,3-5,7-8,13H2,1-2H3,(H,14,15,16)
InChIKeyCBSRYIUBDVQPNN-UHFFFAOYSA-N
XLogP1.50
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[1-(aminomethyl)cyclopropyl]methyl]-6-ethyl-2-methylpyrimidin-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

N-[(1-aminocyclobutyl)methyl]-6-ethyl-2-methylpyrimidin-4-amine
CID 103353838
N-[[1-(aminomethyl)cyclohexyl]methyl]-2,6-dimethylpyrimidin-4-amine
CID 103970489
N,6-diethyl-2-methylpyrimidin-4-amine
CID 62191281
N-[[4-(dimethylamino)oxan-4-yl]methyl]-6-ethyl-2-methylpyrimidin-4-amine
CID 133460793
4-[[1-(aminomethyl)cyclopropyl]methylamino]-2-ethyl-1H-pyrimidin-6-one
CID 137008661
1-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-2-ethylsulfanylcyclobutan-1-ol
CID 133461626
6-ethyl-N-(1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazin-9a-ylmethyl)-2-methylpyrimidin-4-amine
CID 138053302
N-[[1-(aminomethyl)cyclopropyl]methyl]-5,6-dimethylpyrazin-2-amine
CID 114477674
2-N-(6-ethyl-2-methylpyrimidin-4-yl)-3,3-dimethylbutane-1,2-diamine
CID 114208177
1-[(6-ethyl-2-methylpyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid
CID 81165130
2-cyclopropyl-2-N-(6-ethyl-2-methylpyrimidin-4-yl)propane-1,2-diamine
CID 113283635
2-N-(6-ethyl-2-methylpyrimidin-4-yl)-2,3-dimethylbutane-1,2-diamine
CID 113284109

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-6-ethyl-2-methylpyrimidin-4-amine?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-6-ethyl-2-methylpyrimidin-4-amine (CID 115457082) is N-[[1-(aminomethyl)cyclopropyl]methyl]-6-ethyl-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-6-ethyl-2-methylpyrimidin-4-amine?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-6-ethyl-2-methylpyrimidin-4-amine is CCc1cc(NCC2(CN)CC2)nc(C)n1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-6-ethyl-2-methylpyrimidin-4-amine?
The InChIKey is CBSRYIUBDVQPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-3-10-6-11(16-9(2)15-10)14-8-12(7-13)4-5-12/h6H,3-5,7-8,13H2,1-2H3,(H,14,15,16).
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-6-ethyl-2-methylpyrimidin-4-amine?
N-[[1-(aminomethyl)cyclopropyl]methyl]-6-ethyl-2-methylpyrimidin-4-amine has a molecular weight of 220.32 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]-6-ethyl-2-methylpyrimidin-4-amine is sourced from PubChem (CID 115457082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).