N-ethyl-2-[(2-methoxyphenyl)methyl]pyrimidin-4-amine

C14H17N3O — CID 55045486

IUPACN-ethyl-2-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
SMILESCCNc1ccnc(Cc2ccccc2OC)n1
InChIInChI=1S/C14H17N3O/c1-3-15-13-8-9-16-14(17-13)10-11-6-4-5-7-12(11)18-2/h4-9H,3,10H2,1-2H3,(H,15,16,17)
InChIKeyVHLWTYFVFRQIHE-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.51
Rot. Bonds5

About N-ethyl-2-[(2-methoxyphenyl)methyl]pyrimidin-4-amine

N-ethyl-2-[(2-methoxyphenyl)methyl]pyrimidin-4-amine (PubChem CID 55045486) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-ethyl-2-[(2-methoxyphenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
PubChem CID55045486
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-ethyl-2-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
SMILESCCNc1ccnc(Cc2ccccc2OC)n1
InChIInChI=1S/C14H17N3O/c1-3-15-13-8-9-16-14(17-13)10-11-6-4-5-7-12(11)18-2/h4-9H,3,10H2,1-2H3,(H,15,16,17)
InChIKeyVHLWTYFVFRQIHE-UHFFFAOYSA-N
XLogP2.51
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,6-diethyl-2-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
CID 62190751
2-N-ethyl-4-N-[2-(2-methoxyphenyl)ethyl]pyridine-2,4-diamine
CID 106262665
1-[2-[(2-methoxyphenyl)methyl]pyrimidin-4-yl]propan-2-amine
CID 55114291
N-[[2-[(2-methoxyphenyl)methyl]pyrimidin-4-yl]methyl]-2-methylpropan-1-amine
CID 62749189
N-ethyl-1-[2-[(2-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]ethanamine
CID 62771730
2-N-tert-butyl-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892144
2-N-benzyl-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112889572
N-ethyl-2-[(2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62188844
2-N-[(2-methoxyphenyl)methyl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112883170
4-N-[(2-chlorophenyl)methyl]-2-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112891638
[2-[(2-methoxyphenyl)methyl]pyrimidin-5-yl]methanol
CID 62757708
4-N-(2-methoxyethyl)-2-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112885690

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(2-methoxyphenyl)methyl]pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-[(2-methoxyphenyl)methyl]pyrimidin-4-amine (CID 55045486) is N-ethyl-2-[(2-methoxyphenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-[(2-methoxyphenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-[(2-methoxyphenyl)methyl]pyrimidin-4-amine is CCNc1ccnc(Cc2ccccc2OC)n1.
What is the InChIKey of N-ethyl-2-[(2-methoxyphenyl)methyl]pyrimidin-4-amine?
The InChIKey is VHLWTYFVFRQIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-3-15-13-8-9-16-14(17-13)10-11-6-4-5-7-12(11)18-2/h4-9H,3,10H2,1-2H3,(H,15,16,17).
What are the key properties of N-ethyl-2-[(2-methoxyphenyl)methyl]pyrimidin-4-amine?
N-ethyl-2-[(2-methoxyphenyl)methyl]pyrimidin-4-amine has a molecular weight of 243.31 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(2-methoxyphenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 55045486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).