N-[(4-chlorophenyl)methyl]-6-ethoxy-5-methylpyrimidin-4-amine

C14H16ClN3O — CID 66326004

IUPACN-[(4-chlorophenyl)methyl]-6-ethoxy-5-methylpyrimidin-4-amine
SMILESCCOc1ncnc(NCc2ccc(Cl)cc2)c1C
InChIInChI=1S/C14H16ClN3O/c1-3-19-14-10(2)13(17-9-18-14)16-8-11-4-6-12(15)7-5-11/h4-7,9H,3,8H2,1-2H3,(H,16,17,18)
InChIKeySASGRWODBBQLFH-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.45
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-6-ethoxy-5-methylpyrimidin-4-amine

N-[(4-chlorophenyl)methyl]-6-ethoxy-5-methylpyrimidin-4-amine (PubChem CID 66326004) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-6-ethoxy-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-6-ethoxy-5-methylpyrimidin-4-amine
PubChem CID66326004
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC NameN-[(4-chlorophenyl)methyl]-6-ethoxy-5-methylpyrimidin-4-amine
SMILESCCOc1ncnc(NCc2ccc(Cl)cc2)c1C
InChIInChI=1S/C14H16ClN3O/c1-3-19-14-10(2)13(17-9-18-14)16-8-11-4-6-12(15)7-5-11/h4-7,9H,3,8H2,1-2H3,(H,16,17,18)
InChIKeySASGRWODBBQLFH-UHFFFAOYSA-N
XLogP3.45
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]phenol
CID 114332523
4-N-[(4-chlorophenyl)methyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80765162
6-ethoxy-5-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine
CID 66325638
6-ethoxy-5-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 66327283
6-ethoxy-5-methyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine
CID 66327056
N-[(3-amino-4-methoxyphenyl)methyl]-6-ethoxy-5-methylpyrimidin-4-amine
CID 66327604
6-ethoxy-N-[(2-fluorophenyl)methyl]-5-methylpyrimidin-4-amine
CID 66325604
6-ethoxy-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 66327674
6-butoxy-4-N-[(4-chlorophenyl)methyl]pyrimidine-4,5-diamine
CID 82455263
3-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]benzonitrile
CID 66325204
6-ethoxy-N-(furan-2-ylmethyl)-5-methylpyrimidin-4-amine
CID 66326618
N-[4-(chloromethyl)phenyl]-6-ethoxy-5-methylpyrimidin-4-amine
CID 66327619

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-6-ethoxy-5-methylpyrimidin-4-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-6-ethoxy-5-methylpyrimidin-4-amine (CID 66326004) is N-[(4-chlorophenyl)methyl]-6-ethoxy-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-6-ethoxy-5-methylpyrimidin-4-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-6-ethoxy-5-methylpyrimidin-4-amine is CCOc1ncnc(NCc2ccc(Cl)cc2)c1C.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-6-ethoxy-5-methylpyrimidin-4-amine?
The InChIKey is SASGRWODBBQLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-3-19-14-10(2)13(17-9-18-14)16-8-11-4-6-12(15)7-5-11/h4-7,9H,3,8H2,1-2H3,(H,16,17,18).
What are the key properties of N-[(4-chlorophenyl)methyl]-6-ethoxy-5-methylpyrimidin-4-amine?
N-[(4-chlorophenyl)methyl]-6-ethoxy-5-methylpyrimidin-4-amine has a molecular weight of 277.75 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-6-ethoxy-5-methylpyrimidin-4-amine is sourced from PubChem (CID 66326004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).