N-[(4-methyl-2-pyrimidin-4-ylpyrimidin-5-yl)methyl]ethanamine

C12H15N5 — CID 114206436

IUPACN-[(4-methyl-2-pyrimidin-4-ylpyrimidin-5-yl)methyl]ethanamine
SMILESCCNCc1cnc(-c2ccncn2)nc1C
InChIInChI=1S/C12H15N5/c1-3-13-6-10-7-15-12(17-9(10)2)11-4-5-14-8-16-11/h4-5,7-8,13H,3,6H2,1-2H3
InChIKeyTXMBUKGIYSSOAL-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.35
Rot. Bonds4

About N-[(4-methyl-2-pyrimidin-4-ylpyrimidin-5-yl)methyl]ethanamine

N-[(4-methyl-2-pyrimidin-4-ylpyrimidin-5-yl)methyl]ethanamine (PubChem CID 114206436) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is N-[(4-methyl-2-pyrimidin-4-ylpyrimidin-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-methyl-2-pyrimidin-4-ylpyrimidin-5-yl)methyl]ethanamine
PubChem CID114206436
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC NameN-[(4-methyl-2-pyrimidin-4-ylpyrimidin-5-yl)methyl]ethanamine
SMILESCCNCc1cnc(-c2ccncn2)nc1C
InChIInChI=1S/C12H15N5/c1-3-13-6-10-7-15-12(17-9(10)2)11-4-5-14-8-16-11/h4-5,7-8,13H,3,6H2,1-2H3
InChIKeyTXMBUKGIYSSOAL-UHFFFAOYSA-N
XLogP1.35
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-5-(ethylaminomethyl)-4-methylpyrimidin-2-amine
CID 83186097
N-ethyl-5-iodo-6-methyl-2-pyrimidin-4-ylpyrimidin-4-amine
CID 66307314
N-[(4,6-dimethyl-2-pyrimidin-4-ylpyrimidin-5-yl)methyl]-2-methoxyethanamine
CID 63989399
5-(ethylaminomethyl)-4-methyl-N,N-dipropylpyrimidin-2-amine
CID 83186275
N-[(4,6-dimethyl-2-pyrimidin-4-ylpyrimidin-5-yl)methyl]cyclopropanamine
CID 63989194
4-chloro-5-ethyl-6-methyl-2-pyrimidin-4-ylpyrimidine
CID 63985246
5-ethyl-6-methyl-2-pyrimidin-4-ylpyrimidin-4-amine
CID 63984854
N-[[2-(1-methoxypropan-2-yloxy)-4-methylpyrimidin-5-yl]methyl]ethanamine
CID 83188930
N,5,6-trimethyl-2-pyrimidin-4-ylpyrimidin-4-amine
CID 63984848
N-[(4-methyl-2-pyridin-2-ylpyrimidin-5-yl)methyl]cyclopropanamine
CID 114206497
N-[(4,6-dimethyl-2-pyridin-2-ylpyrimidin-5-yl)methyl]ethanamine
CID 62744443
N-[[4-methyl-2-(1-phenylethoxy)pyrimidin-5-yl]methyl]ethanamine
CID 83189196

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-2-pyrimidin-4-ylpyrimidin-5-yl)methyl]ethanamine?
The IUPAC name of N-[(4-methyl-2-pyrimidin-4-ylpyrimidin-5-yl)methyl]ethanamine (CID 114206436) is N-[(4-methyl-2-pyrimidin-4-ylpyrimidin-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-methyl-2-pyrimidin-4-ylpyrimidin-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-methyl-2-pyrimidin-4-ylpyrimidin-5-yl)methyl]ethanamine is CCNCc1cnc(-c2ccncn2)nc1C.
What is the InChIKey of N-[(4-methyl-2-pyrimidin-4-ylpyrimidin-5-yl)methyl]ethanamine?
The InChIKey is TXMBUKGIYSSOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-3-13-6-10-7-15-12(17-9(10)2)11-4-5-14-8-16-11/h4-5,7-8,13H,3,6H2,1-2H3.
What are the key properties of N-[(4-methyl-2-pyrimidin-4-ylpyrimidin-5-yl)methyl]ethanamine?
N-[(4-methyl-2-pyrimidin-4-ylpyrimidin-5-yl)methyl]ethanamine has a molecular weight of 229.29 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-2-pyrimidin-4-ylpyrimidin-5-yl)methyl]ethanamine is sourced from PubChem (CID 114206436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).