N-[(3,4-dimethoxyphenyl)methyl]-6-propylpyrimidin-4-amine

C16H21N3O2 — CID 61240335

IUPACN-[(3,4-dimethoxyphenyl)methyl]-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NCc2ccc(OC)c(OC)c2)ncn1
InChIInChI=1S/C16H21N3O2/c1-4-5-13-9-16(19-11-18-13)17-10-12-6-7-14(20-2)15(8-12)21-3/h6-9,11H,4-5,10H2,1-3H3,(H,17,18,19)
InChIKeyXNDFZQAFOYVJRJ-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.06
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-6-propylpyrimidin-4-amine

N-[(3,4-dimethoxyphenyl)methyl]-6-propylpyrimidin-4-amine (PubChem CID 61240335) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-6-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-6-propylpyrimidin-4-amine
PubChem CID61240335
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NCc2ccc(OC)c(OC)c2)ncn1
InChIInChI=1S/C16H21N3O2/c1-4-5-13-9-16(19-11-18-13)17-10-12-6-7-14(20-2)15(8-12)21-3/h6-9,11H,4-5,10H2,1-3H3,(H,17,18,19)
InChIKeyXNDFZQAFOYVJRJ-UHFFFAOYSA-N
XLogP3.06
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[(3,4-dimethoxyphenyl)methyl]-6-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112859178
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethylpyrimidin-4-amine
CID 61236065
N-[(5-amino-2-methoxyphenyl)methyl]-6-propylpyrimidin-4-amine
CID 61240730
[4-[[(6-propylpyrimidin-4-yl)amino]methyl]phenyl]methanol
CID 107232280
4-N-[(3,4-dimethoxyphenyl)methyl]-6-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112861690
4-N-[(3,4-dimethoxyphenyl)methyl]-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112859045
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860212
6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112858911
4-N-(4-tert-butylphenyl)-6-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112862603
6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(2,6-dimethylphenyl)pyrimidine-4,6-diamine
CID 112862593
6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858581
6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine
CID 112862591

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-6-propylpyrimidin-4-amine?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-6-propylpyrimidin-4-amine (CID 61240335) is N-[(3,4-dimethoxyphenyl)methyl]-6-propylpyrimidin-4-amine.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-6-propylpyrimidin-4-amine?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-6-propylpyrimidin-4-amine is CCCc1cc(NCc2ccc(OC)c(OC)c2)ncn1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-6-propylpyrimidin-4-amine?
The InChIKey is XNDFZQAFOYVJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-5-13-9-16(19-11-18-13)17-10-12-6-7-14(20-2)15(8-12)21-3/h6-9,11H,4-5,10H2,1-3H3,(H,17,18,19).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-6-propylpyrimidin-4-amine?
N-[(3,4-dimethoxyphenyl)methyl]-6-propylpyrimidin-4-amine has a molecular weight of 287.36 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-6-propylpyrimidin-4-amine is sourced from PubChem (CID 61240335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).