4,6-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine

C13H16N4 — CID 114956711

IUPAC4,6-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine
SMILESCc1cc(C)nc(NCc2cnccc2C)n1
InChIInChI=1S/C13H16N4/c1-9-4-5-14-7-12(9)8-15-13-16-10(2)6-11(3)17-13/h4-7H,8H2,1-3H3,(H,15,16,17)
InChIKeyCWAJVADMQOEXTJ-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.41
Rot. Bonds3

About 4,6-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine

4,6-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine (PubChem CID 114956711) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 4,6-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine
PubChem CID114956711
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name4,6-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine
SMILESCc1cc(C)nc(NCc2cnccc2C)n1
InChIInChI=1S/C13H16N4/c1-9-4-5-14-7-12(9)8-15-13-16-10(2)6-11(3)17-13/h4-7H,8H2,1-3H3,(H,15,16,17)
InChIKeyCWAJVADMQOEXTJ-UHFFFAOYSA-N
XLogP2.41
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4,6-dimethyl-N-[(4-methyl-3-pyridinyl)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

4-methyl-N-[(3-methyl-4-pyridinyl)methyl]-6-propan-2-ylpyrimidin-2-amine
CID 114701017
N-[(4-methyl-3-pyridinyl)methyl]pyridin-4-amine
CID 114956500
5-iodo-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine
CID 114956718
5-chloro-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine
CID 114956528
2,6-difluoro-1-N-[(4-methyl-3-pyridinyl)methyl]benzene-1,4-diamine
CID 114954480
2-N-[(4-methyl-3-pyridinyl)methyl]pyridine-2,4-diamine
CID 114954576
6-methoxy-2-N-[(4-methyl-3-pyridinyl)methyl]-1,3,5-triazine-2,4-diamine
CID 114957865
6-hydrazinyl-4-N,4-N-dimethyl-2-N-[(4-methyl-3-pyridinyl)methyl]-1,3,5-triazine-2,4-diamine
CID 114958025
N-methyl-1-(4-methyl-3-pyridinyl)methanamine;dihydrochloride
CID 171316354
N-[(4-methyl-3-pyridinyl)methyl]-1-(2-methylquinolin-4-yl)methanamine
CID 114954791
3,5-dichloro-2-N-ethyl-6-N-[(4-methyl-3-pyridinyl)methyl]pyridine-2,6-diamine
CID 102760189
4-ethyl-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]aniline
CID 114078614

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine?
The IUPAC name of 4,6-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine (CID 114956711) is 4,6-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine is Cc1cc(C)nc(NCc2cnccc2C)n1.
What is the InChIKey of 4,6-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine?
The InChIKey is CWAJVADMQOEXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-9-4-5-14-7-12(9)8-15-13-16-10(2)6-11(3)17-13/h4-7H,8H2,1-3H3,(H,15,16,17).
What are the key properties of 4,6-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine?
4,6-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine has a molecular weight of 228.30 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 114956711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).