N-[(4,6-dimethyl-2-pyridin-2-ylpyrimidin-5-yl)methyl]ethanamine

C14H18N4 — CID 62744443

IUPACN-[(4,6-dimethyl-2-pyridin-2-ylpyrimidin-5-yl)methyl]ethanamine
SMILESCCNCc1c(C)nc(-c2ccccn2)nc1C
InChIInChI=1S/C14H18N4/c1-4-15-9-12-10(2)17-14(18-11(12)3)13-7-5-6-8-16-13/h5-8,15H,4,9H2,1-3H3
InChIKeyKUKIAPSAVDUSOB-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.26
Rot. Bonds4

About N-[(4,6-dimethyl-2-pyridin-2-ylpyrimidin-5-yl)methyl]ethanamine

N-[(4,6-dimethyl-2-pyridin-2-ylpyrimidin-5-yl)methyl]ethanamine (PubChem CID 62744443) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-pyridin-2-ylpyrimidin-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-pyridin-2-ylpyrimidin-5-yl)methyl]ethanamine
PubChem CID62744443
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC NameN-[(4,6-dimethyl-2-pyridin-2-ylpyrimidin-5-yl)methyl]ethanamine
SMILESCCNCc1c(C)nc(-c2ccccn2)nc1C
InChIInChI=1S/C14H18N4/c1-4-15-9-12-10(2)17-14(18-11(12)3)13-7-5-6-8-16-13/h5-8,15H,4,9H2,1-3H3
InChIKeyKUKIAPSAVDUSOB-UHFFFAOYSA-N
XLogP2.26
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-pyridin-2-ylpyrimidin-5-yl)methyl]ethanamine?
The IUPAC name of N-[(4,6-dimethyl-2-pyridin-2-ylpyrimidin-5-yl)methyl]ethanamine (CID 62744443) is N-[(4,6-dimethyl-2-pyridin-2-ylpyrimidin-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4,6-dimethyl-2-pyridin-2-ylpyrimidin-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(4,6-dimethyl-2-pyridin-2-ylpyrimidin-5-yl)methyl]ethanamine is CCNCc1c(C)nc(-c2ccccn2)nc1C.
What is the InChIKey of N-[(4,6-dimethyl-2-pyridin-2-ylpyrimidin-5-yl)methyl]ethanamine?
The InChIKey is KUKIAPSAVDUSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-4-15-9-12-10(2)17-14(18-11(12)3)13-7-5-6-8-16-13/h5-8,15H,4,9H2,1-3H3.
What are the key properties of N-[(4,6-dimethyl-2-pyridin-2-ylpyrimidin-5-yl)methyl]ethanamine?
N-[(4,6-dimethyl-2-pyridin-2-ylpyrimidin-5-yl)methyl]ethanamine has a molecular weight of 242.33 g/mol, XLogP of 2.26, 4 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-pyridin-2-ylpyrimidin-5-yl)methyl]ethanamine is sourced from PubChem (CID 62744443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).