N-[[4,6-dimethyl-2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine

C17H24N4 — CID 63839957

IUPACN-[[4,6-dimethyl-2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
SMILESCc1ccnc(-c2nc(C)c(CNCC(C)C)c(C)n2)c1
InChIInChI=1S/C17H24N4/c1-11(2)9-18-10-15-13(4)20-17(21-14(15)5)16-8-12(3)6-7-19-16/h6-8,11,18H,9-10H2,1-5H3
InChIKeySTJNLUHZRJACIL-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.21
Rot. Bonds5

About N-[[4,6-dimethyl-2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine

N-[[4,6-dimethyl-2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine (PubChem CID 63839957) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is N-[[4,6-dimethyl-2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4,6-dimethyl-2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
PubChem CID63839957
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC NameN-[[4,6-dimethyl-2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
SMILESCc1ccnc(-c2nc(C)c(CNCC(C)C)c(C)n2)c1
InChIInChI=1S/C17H24N4/c1-11(2)9-18-10-15-13(4)20-17(21-14(15)5)16-8-12(3)6-7-19-16/h6-8,11,18H,9-10H2,1-5H3
InChIKeySTJNLUHZRJACIL-UHFFFAOYSA-N
XLogP3.21
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4,6-dimethyl-2-(4-methyl-2-pyridinyl)pyrimidin-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

Frequently Asked Questions

What is the IUPAC name of N-[[4,6-dimethyl-2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4,6-dimethyl-2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine (CID 63839957) is N-[[4,6-dimethyl-2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4,6-dimethyl-2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4,6-dimethyl-2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine is Cc1ccnc(-c2nc(C)c(CNCC(C)C)c(C)n2)c1.
What is the InChIKey of N-[[4,6-dimethyl-2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is STJNLUHZRJACIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-11(2)9-18-10-15-13(4)20-17(21-14(15)5)16-8-12(3)6-7-19-16/h6-8,11,18H,9-10H2,1-5H3.
What are the key properties of N-[[4,6-dimethyl-2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine?
N-[[4,6-dimethyl-2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 284.41 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,6-dimethyl-2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63839957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).