[4-ethyl-2-(3-ethyl-2-pyridinyl)pyrimidin-5-yl]methanamine

C14H18N4 — CID 114206041

IUPAC[4-ethyl-2-(3-ethyl-2-pyridinyl)pyrimidin-5-yl]methanamine
SMILESCCc1cccnc1-c1ncc(CN)c(CC)n1
InChIInChI=1S/C14H18N4/c1-3-10-6-5-7-16-13(10)14-17-9-11(8-15)12(4-2)18-14/h5-7,9H,3-4,8,15H2,1-2H3
InChIKeySWJRQGRPIBSATK-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.12
Rot. Bonds4

About [4-ethyl-2-(3-ethyl-2-pyridinyl)pyrimidin-5-yl]methanamine

[4-ethyl-2-(3-ethyl-2-pyridinyl)pyrimidin-5-yl]methanamine (PubChem CID 114206041) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is [4-ethyl-2-(3-ethyl-2-pyridinyl)pyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[4-ethyl-2-(3-ethyl-2-pyridinyl)pyrimidin-5-yl]methanamine
PubChem CID114206041
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name[4-ethyl-2-(3-ethyl-2-pyridinyl)pyrimidin-5-yl]methanamine
SMILESCCc1cccnc1-c1ncc(CN)c(CC)n1
InChIInChI=1S/C14H18N4/c1-3-10-6-5-7-16-13(10)14-17-9-11(8-15)12(4-2)18-14/h5-7,9H,3-4,8,15H2,1-2H3
InChIKeySWJRQGRPIBSATK-UHFFFAOYSA-N
XLogP2.12
TPSA64.69 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 ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-ethyl-2-(3-ethyl-2-pyridinyl)-5-methylpyrimidin-4-yl]hydrazine
CID 82741821
[2-(3-ethyl-2-pyridinyl)pyrimidin-4-yl]methanol
CID 82740620
ethyl 2-(3-ethyl-2-pyridinyl)-4-methylpyrimidine-5-carboxylate
CID 102972459
ethyl 2-(3-bromo-2-pyridinyl)-4-ethylpyrimidine-5-carboxylate
CID 102972858
2-(3-ethyl-2-pyridinyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741089
[2-(3-chloro-2-pyridinyl)-4-(difluoromethyl)pyrimidin-5-yl]methanamine
CID 114206169
2,3-diethylpyridine
CID 14747123
5-chloro-3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazole
CID 82741728
2-[2-(3-ethyl-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]acetic acid
CID 82740850
2-(3-ethyl-2-pyridinyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
CID 82733096
[2-(3-ethyl-2-pyridinyl)-6-methylpyrimidin-4-yl]methanol
CID 82740703
[4-ethyl-2-[(2-fluorophenyl)methyl]pyrimidin-5-yl]methanamine
CID 114206046

Frequently Asked Questions

What is the IUPAC name of [4-ethyl-2-(3-ethyl-2-pyridinyl)pyrimidin-5-yl]methanamine?
The IUPAC name of [4-ethyl-2-(3-ethyl-2-pyridinyl)pyrimidin-5-yl]methanamine (CID 114206041) is [4-ethyl-2-(3-ethyl-2-pyridinyl)pyrimidin-5-yl]methanamine.
What is the SMILES notation for [4-ethyl-2-(3-ethyl-2-pyridinyl)pyrimidin-5-yl]methanamine?
The canonical SMILES for [4-ethyl-2-(3-ethyl-2-pyridinyl)pyrimidin-5-yl]methanamine is CCc1cccnc1-c1ncc(CN)c(CC)n1.
What is the InChIKey of [4-ethyl-2-(3-ethyl-2-pyridinyl)pyrimidin-5-yl]methanamine?
The InChIKey is SWJRQGRPIBSATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-3-10-6-5-7-16-13(10)14-17-9-11(8-15)12(4-2)18-14/h5-7,9H,3-4,8,15H2,1-2H3.
What are the key properties of [4-ethyl-2-(3-ethyl-2-pyridinyl)pyrimidin-5-yl]methanamine?
[4-ethyl-2-(3-ethyl-2-pyridinyl)pyrimidin-5-yl]methanamine has a molecular weight of 242.33 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-2-(3-ethyl-2-pyridinyl)pyrimidin-5-yl]methanamine is sourced from PubChem (CID 114206041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).