(1S)-N-[(2-ethylpyrimidin-4-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine

C14H19N5 — CID 99928265

IUPAC(1S)-N-[(2-ethylpyrimidin-4-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine
SMILESCCc1nccc(CN(C)[C@@H](C)c2ccncn2)n1
InChIInChI=1S/C14H19N5/c1-4-14-16-8-5-12(18-14)9-19(3)11(2)13-6-7-15-10-17-13/h5-8,10-11H,4,9H2,1-3H3/t11-/m0/s1
InChIKeyVDCVEZHLBOUPFN-NSHDSACASA-N
MW257.34 g/mol
LogP2.02
Rot. Bonds5

About (1S)-N-[(2-ethylpyrimidin-4-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine

(1S)-N-[(2-ethylpyrimidin-4-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine (PubChem CID 99928265) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is (1S)-N-[(2-ethylpyrimidin-4-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[(2-ethylpyrimidin-4-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine
PubChem CID99928265
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name(1S)-N-[(2-ethylpyrimidin-4-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine
SMILESCCc1nccc(CN(C)[C@@H](C)c2ccncn2)n1
InChIInChI=1S/C14H19N5/c1-4-14-16-8-5-12(18-14)9-19(3)11(2)13-6-7-15-10-17-13/h5-8,10-11H,4,9H2,1-3H3/t11-/m0/s1
InChIKeyVDCVEZHLBOUPFN-NSHDSACASA-N
XLogP2.02
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1S)-N-[(2-ethylpyrimidin-4-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine 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 (1S)-N-[(2-ethylpyrimidin-4-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine?
The IUPAC name of (1S)-N-[(2-ethylpyrimidin-4-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine (CID 99928265) is (1S)-N-[(2-ethylpyrimidin-4-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine.
What is the SMILES notation for (1S)-N-[(2-ethylpyrimidin-4-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine?
The canonical SMILES for (1S)-N-[(2-ethylpyrimidin-4-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine is CCc1nccc(CN(C)[C@@H](C)c2ccncn2)n1.
What is the InChIKey of (1S)-N-[(2-ethylpyrimidin-4-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine?
The InChIKey is VDCVEZHLBOUPFN-NSHDSACASA-N. The full InChI is InChI=1S/C14H19N5/c1-4-14-16-8-5-12(18-14)9-19(3)11(2)13-6-7-15-10-17-13/h5-8,10-11H,4,9H2,1-3H3/t11-/m0/s1.
What are the key properties of (1S)-N-[(2-ethylpyrimidin-4-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine?
(1S)-N-[(2-ethylpyrimidin-4-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine has a molecular weight of 257.34 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(2-ethylpyrimidin-4-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine is sourced from PubChem (CID 99928265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).