N,6-diethyl-2-[(2-methoxyphenyl)methyl]pyrimidin-4-amine

C16H21N3O — CID 62190751

IUPACN,6-diethyl-2-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
SMILESCCNc1cc(CC)nc(Cc2ccccc2OC)n1
InChIInChI=1S/C16H21N3O/c1-4-13-11-15(17-5-2)19-16(18-13)10-12-8-6-7-9-14(12)20-3/h6-9,11H,4-5,10H2,1-3H3,(H,17,18,19)
InChIKeyQGLFAIYWFVYWIP-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.07
Rot. Bonds6

About N,6-diethyl-2-[(2-methoxyphenyl)methyl]pyrimidin-4-amine

N,6-diethyl-2-[(2-methoxyphenyl)methyl]pyrimidin-4-amine (PubChem CID 62190751) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N,6-diethyl-2-[(2-methoxyphenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,6-diethyl-2-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
PubChem CID62190751
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN,6-diethyl-2-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
SMILESCCNc1cc(CC)nc(Cc2ccccc2OC)n1
InChIInChI=1S/C16H21N3O/c1-4-13-11-15(17-5-2)19-16(18-13)10-12-8-6-7-9-14(12)20-3/h6-9,11H,4-5,10H2,1-3H3,(H,17,18,19)
InChIKeyQGLFAIYWFVYWIP-UHFFFAOYSA-N
XLogP3.07
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
CID 55045486
6-N-ethyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4,6-triamine
CID 106262726
[2-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-yl]methanamine
CID 62743741
1-[2-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-yl]butan-2-amine
CID 62745058
2-benzyl-N-ethyl-6-propylpyrimidin-4-amine
CID 62192157
N-ethyl-2-[(2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62188844
2-[(2-methoxyphenyl)methyl]-6-(propan-2-ylamino)pyrimidine-4-carboxylic acid
CID 82169905
2-[(2-fluorophenyl)methyl]-N,6-dipropylpyrimidin-4-amine
CID 63485042
N-ethyl-6-(2-methoxyphenoxy)-2-propylpyrimidin-4-amine
CID 80944699
N-ethyl-1-[2-[(2-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]ethanamine
CID 62771730
N-ethyl-6-(methoxymethyl)-2-(2-methoxyphenyl)pyrimidin-4-amine
CID 62320794
N-ethyl-6-(methoxymethyl)-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine
CID 66098661

Frequently Asked Questions

What is the IUPAC name of N,6-diethyl-2-[(2-methoxyphenyl)methyl]pyrimidin-4-amine?
The IUPAC name of N,6-diethyl-2-[(2-methoxyphenyl)methyl]pyrimidin-4-amine (CID 62190751) is N,6-diethyl-2-[(2-methoxyphenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for N,6-diethyl-2-[(2-methoxyphenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for N,6-diethyl-2-[(2-methoxyphenyl)methyl]pyrimidin-4-amine is CCNc1cc(CC)nc(Cc2ccccc2OC)n1.
What is the InChIKey of N,6-diethyl-2-[(2-methoxyphenyl)methyl]pyrimidin-4-amine?
The InChIKey is QGLFAIYWFVYWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-4-13-11-15(17-5-2)19-16(18-13)10-12-8-6-7-9-14(12)20-3/h6-9,11H,4-5,10H2,1-3H3,(H,17,18,19).
What are the key properties of N,6-diethyl-2-[(2-methoxyphenyl)methyl]pyrimidin-4-amine?
N,6-diethyl-2-[(2-methoxyphenyl)methyl]pyrimidin-4-amine has a molecular weight of 271.36 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-diethyl-2-[(2-methoxyphenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 62190751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).