N-methyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]pyrimidin-2-amine

C13H22N4O — CID 112751274

IUPACN-methyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]pyrimidin-2-amine
SMILESCNc1nccc(CN(C)CC2CCOCC2)n1
InChIInChI=1S/C13H22N4O/c1-14-13-15-6-3-12(16-13)10-17(2)9-11-4-7-18-8-5-11/h3,6,11H,4-5,7-10H2,1-2H3,(H,14,15,16)
InChIKeyNBBBQBVCRXISHQ-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.38
Rot. Bonds5

About N-methyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]pyrimidin-2-amine

N-methyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]pyrimidin-2-amine (PubChem CID 112751274) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-methyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]pyrimidin-2-amine
PubChem CID112751274
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-methyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]pyrimidin-2-amine
SMILESCNc1nccc(CN(C)CC2CCOCC2)n1
InChIInChI=1S/C13H22N4O/c1-14-13-15-6-3-12(16-13)10-17(2)9-11-4-7-18-8-5-11/h3,6,11H,4-5,7-10H2,1-2H3,(H,14,15,16)
InChIKeyNBBBQBVCRXISHQ-UHFFFAOYSA-N
XLogP1.38
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]pyrimidin-2-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-[[6-[[methyl(oxan-4-ylmethyl)amino]methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106906639
N-[[6-[[methyl(oxan-4-ylmethyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106906637
N-ethyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]pyridin-2-amine
CID 55228180
N-[(2-chloropyrimidin-4-yl)methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine
CID 112751145
2-N,4-N-dimethyl-4-N-(oxan-4-ylmethyl)pyridine-2,4-diamine
CID 113367846
N-[(2-chloropyrimidin-4-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
CID 71642488
N-methyl-N-[[5-(methylaminomethyl)furan-2-yl]methyl]-1-(oxan-4-yl)methanamine
CID 55226838
N-methyl-2-[4-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]ethanamine
CID 105347759
2-[[methyl(oxan-4-ylmethyl)amino]methyl]aniline
CID 62385324
3-[[methyl(oxan-4-ylmethyl)amino]methyl]quinolin-2-amine
CID 63711975
4-[[methyl(oxan-4-ylmethyl)amino]methyl]-1,3-thiazole-2-carboxylic acid
CID 63711703
N-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]-1-(oxan-4-yl)methanamine
CID 55227611

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]pyrimidin-2-amine?
The IUPAC name of N-methyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]pyrimidin-2-amine (CID 112751274) is N-methyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]pyrimidin-2-amine.
What is the SMILES notation for N-methyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]pyrimidin-2-amine?
The canonical SMILES for N-methyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]pyrimidin-2-amine is CNc1nccc(CN(C)CC2CCOCC2)n1.
What is the InChIKey of N-methyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]pyrimidin-2-amine?
The InChIKey is NBBBQBVCRXISHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-14-13-15-6-3-12(16-13)10-17(2)9-11-4-7-18-8-5-11/h3,6,11H,4-5,7-10H2,1-2H3,(H,14,15,16).
What are the key properties of N-methyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]pyrimidin-2-amine?
N-methyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]pyrimidin-2-amine has a molecular weight of 250.35 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]pyrimidin-2-amine is sourced from PubChem (CID 112751274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).