6-chloro-2-ethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine

C11H14ClN5 — CID 80936719

IUPAC6-chloro-2-ethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
SMILESCCc1nc(Cl)cc(NCc2nccn2C)n1
InChIInChI=1S/C11H14ClN5/c1-3-9-15-8(12)6-10(16-9)14-7-11-13-4-5-17(11)2/h4-6H,3,7H2,1-2H3,(H,14,15,16)
InChIKeyTXKNPBQZLSKIJU-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.04
Rot. Bonds4

About 6-chloro-2-ethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine

6-chloro-2-ethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine (PubChem CID 80936719) has the molecular formula C11H14ClN5 and a molecular weight of 251.72 g/mol. Its IUPAC name is 6-chloro-2-ethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-ethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
PubChem CID80936719
Molecular FormulaC11H14ClN5
Molecular Weight251.72 g/mol
Exact Mass251.09
IUPAC Name6-chloro-2-ethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
SMILESCCc1nc(Cl)cc(NCc2nccn2C)n1
InChIInChI=1S/C11H14ClN5/c1-3-9-15-8(12)6-10(16-9)14-7-11-13-4-5-17(11)2/h4-6H,3,7H2,1-2H3,(H,14,15,16)
InChIKeyTXKNPBQZLSKIJU-UHFFFAOYSA-N
XLogP2.04
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-ethyl-6-[(1-methylimidazol-2-yl)methyl]pyrimidine
CID 80935856
6-N-ethyl-4-N-[(1-methylimidazol-2-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80950520
2-chloro-6-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 63294630
6-chloro-N-[(1-methylimidazol-2-yl)methyl]pyrazin-2-amine
CID 63294100
6-chloro-2-ethyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 80936276
N-benzyl-6-chloro-2-ethylpyrimidin-4-amine
CID 80935618
2-N-ethyl-6-N-[(1-methylimidazol-2-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718474
6-chloro-2-ethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine
CID 106193170
4-N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80957408
2-N-methyl-6-N-[(1-methylimidazol-2-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718475
4-chloro-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43087975
6-bromo-8-chloro-N-[(1-methylimidazol-2-yl)methyl]quinolin-2-amine
CID 133437021

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-ethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine (CID 80936719) is 6-chloro-2-ethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-ethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-ethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine is CCc1nc(Cl)cc(NCc2nccn2C)n1.
What is the InChIKey of 6-chloro-2-ethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine?
The InChIKey is TXKNPBQZLSKIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5/c1-3-9-15-8(12)6-10(16-9)14-7-11-13-4-5-17(11)2/h4-6H,3,7H2,1-2H3,(H,14,15,16).
What are the key properties of 6-chloro-2-ethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine?
6-chloro-2-ethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine has a molecular weight of 251.72 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 80936719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).