6-chloro-2-ethyl-N-[(4-ethylphenyl)methyl]-5-methylpyrimidin-4-amine

C16H20ClN3 — CID 106900577

IUPAC6-chloro-2-ethyl-N-[(4-ethylphenyl)methyl]-5-methylpyrimidin-4-amine
SMILESCCc1ccc(CNc2nc(CC)nc(Cl)c2C)cc1
InChIInChI=1S/C16H20ClN3/c1-4-12-6-8-13(9-7-12)10-18-16-11(3)15(17)19-14(5-2)20-16/h6-9H,4-5,10H2,1-3H3,(H,18,19,20)
InChIKeyXQAAGPVUZHFQSY-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.18
Rot. Bonds5

About 6-chloro-2-ethyl-N-[(4-ethylphenyl)methyl]-5-methylpyrimidin-4-amine

6-chloro-2-ethyl-N-[(4-ethylphenyl)methyl]-5-methylpyrimidin-4-amine (PubChem CID 106900577) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is 6-chloro-2-ethyl-N-[(4-ethylphenyl)methyl]-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-ethyl-N-[(4-ethylphenyl)methyl]-5-methylpyrimidin-4-amine
PubChem CID106900577
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC Name6-chloro-2-ethyl-N-[(4-ethylphenyl)methyl]-5-methylpyrimidin-4-amine
SMILESCCc1ccc(CNc2nc(CC)nc(Cl)c2C)cc1
InChIInChI=1S/C16H20ClN3/c1-4-12-6-8-13(9-7-12)10-18-16-11(3)15(17)19-14(5-2)20-16/h6-9H,4-5,10H2,1-3H3,(H,18,19,20)
InChIKeyXQAAGPVUZHFQSY-UHFFFAOYSA-N
XLogP4.18
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N,2-diethyl-5-methylpyrimidin-4-amine
CID 79557526
3-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]benzonitrile
CID 80971647
6-chloro-2-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]-5-methylpyrimidin-4-amine
CID 79556339
6-N,2-diethyl-5-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80980974
6-chloro-N-[(4-ethylphenyl)methyl]-4,5-dimethylpyridazin-3-amine
CID 106900542
6-chloro-2-ethyl-5-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
CID 80717013
6-chloro-2-ethyl-5-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine
CID 80971459
6-chloro-2-ethyl-5-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
CID 103883768
2-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80982081
6-chloro-2-ethyl-5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
CID 79557730
6-chloro-N-[(3,4-difluorophenyl)methyl]-5-methyl-2-propylpyrimidin-4-amine
CID 80979456
6-chloro-2-ethyl-5-methyl-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]pyrimidin-4-amine
CID 133351114

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-N-[(4-ethylphenyl)methyl]-5-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-2-ethyl-N-[(4-ethylphenyl)methyl]-5-methylpyrimidin-4-amine (CID 106900577) is 6-chloro-2-ethyl-N-[(4-ethylphenyl)methyl]-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-ethyl-N-[(4-ethylphenyl)methyl]-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-ethyl-N-[(4-ethylphenyl)methyl]-5-methylpyrimidin-4-amine is CCc1ccc(CNc2nc(CC)nc(Cl)c2C)cc1.
What is the InChIKey of 6-chloro-2-ethyl-N-[(4-ethylphenyl)methyl]-5-methylpyrimidin-4-amine?
The InChIKey is XQAAGPVUZHFQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-4-12-6-8-13(9-7-12)10-18-16-11(3)15(17)19-14(5-2)20-16/h6-9H,4-5,10H2,1-3H3,(H,18,19,20).
What are the key properties of 6-chloro-2-ethyl-N-[(4-ethylphenyl)methyl]-5-methylpyrimidin-4-amine?
6-chloro-2-ethyl-N-[(4-ethylphenyl)methyl]-5-methylpyrimidin-4-amine has a molecular weight of 289.81 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-N-[(4-ethylphenyl)methyl]-5-methylpyrimidin-4-amine is sourced from PubChem (CID 106900577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).