N-[(2-cyclobutyl-4-methylpyrimidin-5-yl)methyl]-2-methylpropan-1-amine

C14H23N3 — CID 114206549

IUPACN-[(2-cyclobutyl-4-methylpyrimidin-5-yl)methyl]-2-methylpropan-1-amine
SMILESCc1nc(C2CCC2)ncc1CNCC(C)C
InChIInChI=1S/C14H23N3/c1-10(2)7-15-8-13-9-16-14(17-11(13)3)12-5-4-6-12/h9-10,12,15H,4-8H2,1-3H3
InChIKeyJURPLPNUYSHECJ-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.80
Rot. Bonds5

About N-[(2-cyclobutyl-4-methylpyrimidin-5-yl)methyl]-2-methylpropan-1-amine

N-[(2-cyclobutyl-4-methylpyrimidin-5-yl)methyl]-2-methylpropan-1-amine (PubChem CID 114206549) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N-[(2-cyclobutyl-4-methylpyrimidin-5-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-cyclobutyl-4-methylpyrimidin-5-yl)methyl]-2-methylpropan-1-amine
PubChem CID114206549
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN-[(2-cyclobutyl-4-methylpyrimidin-5-yl)methyl]-2-methylpropan-1-amine
SMILESCc1nc(C2CCC2)ncc1CNCC(C)C
InChIInChI=1S/C14H23N3/c1-10(2)7-15-8-13-9-16-14(17-11(13)3)12-5-4-6-12/h9-10,12,15H,4-8H2,1-3H3
InChIKeyJURPLPNUYSHECJ-UHFFFAOYSA-N
XLogP2.80
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-cyclobutyl-4-methylpyrimidin-5-yl)methyl]-2-methylpropan-1-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-[(2-cyclohexyloxy-4-methylpyrimidin-5-yl)methyl]-2-methylpropan-1-amine
CID 83189345
N-(cyclobutylmethyl)-N-ethyl-4-methyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-amine
CID 107401794
2-methyl-N-[[4-methyl-2-(2-methylcyclohexyl)oxypyrimidin-5-yl]methyl]propan-1-amine
CID 83186101
(2-cyclohexyl-4-methylpyrimidin-5-yl)methanamine
CID 82506978
N-cyclopropyl-4-methyl-5-[(2-methylpropylamino)methyl]-N-propylpyrimidin-2-amine
CID 83185783
N,4-dimethyl-5-[(2-methylpropylamino)methyl]-N-propan-2-ylpyrimidin-2-amine
CID 83186354
N-[(5-cyclobutyl-1,3-oxazol-2-yl)methyl]-2-methylpropan-1-amine
CID 65181714
N,N-dimethyl-1-[4-methyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]pyrrolidin-3-amine
CID 83179302
N-[[4,6-dimethyl-2-(4-methylcyclohexyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 62746721
4-methyl-5-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-prop-2-enylpyrimidin-2-amine
CID 83188795
2-methyl-N-[[4-methyl-2-(thiolan-2-yl)pyrimidin-5-yl]methyl]propan-2-amine
CID 114206526
N-[[2-(2,5-dimethylmorpholin-4-yl)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 83179272

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclobutyl-4-methylpyrimidin-5-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(2-cyclobutyl-4-methylpyrimidin-5-yl)methyl]-2-methylpropan-1-amine (CID 114206549) is N-[(2-cyclobutyl-4-methylpyrimidin-5-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(2-cyclobutyl-4-methylpyrimidin-5-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(2-cyclobutyl-4-methylpyrimidin-5-yl)methyl]-2-methylpropan-1-amine is Cc1nc(C2CCC2)ncc1CNCC(C)C.
What is the InChIKey of N-[(2-cyclobutyl-4-methylpyrimidin-5-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is JURPLPNUYSHECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-10(2)7-15-8-13-9-16-14(17-11(13)3)12-5-4-6-12/h9-10,12,15H,4-8H2,1-3H3.
What are the key properties of N-[(2-cyclobutyl-4-methylpyrimidin-5-yl)methyl]-2-methylpropan-1-amine?
N-[(2-cyclobutyl-4-methylpyrimidin-5-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 233.36 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclobutyl-4-methylpyrimidin-5-yl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 114206549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).