2-benzyl-6-(methoxymethyl)-N-propylpyrimidin-4-amine

C16H21N3O — CID 62320410

IUPAC2-benzyl-6-(methoxymethyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(COC)nc(Cc2ccccc2)n1
InChIInChI=1S/C16H21N3O/c1-3-9-17-15-11-14(12-20-2)18-16(19-15)10-13-7-5-4-6-8-13/h4-8,11H,3,9-10,12H2,1-2H3,(H,17,18,19)
InChIKeyBQVCMFKVQXBTIO-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.04
Rot. Bonds7

About 2-benzyl-6-(methoxymethyl)-N-propylpyrimidin-4-amine

2-benzyl-6-(methoxymethyl)-N-propylpyrimidin-4-amine (PubChem CID 62320410) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-benzyl-6-(methoxymethyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-benzyl-6-(methoxymethyl)-N-propylpyrimidin-4-amine
PubChem CID62320410
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-benzyl-6-(methoxymethyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(COC)nc(Cc2ccccc2)n1
InChIInChI=1S/C16H21N3O/c1-3-9-17-15-11-14(12-20-2)18-16(19-15)10-13-7-5-4-6-8-13/h4-8,11H,3,9-10,12H2,1-2H3,(H,17,18,19)
InChIKeyBQVCMFKVQXBTIO-UHFFFAOYSA-N
XLogP3.04
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(methoxymethyl)-N-propyl-2-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 62552293
2-[(dimethylamino)methyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 79088984
2-benzyl-N-ethyl-6-propylpyrimidin-4-amine
CID 62192157
2-[(3-chlorophenyl)methyl]-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 62320406
2-benzyl-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 63485421
2-[2-(dimethylamino)ethyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 113291401
6-(methoxymethyl)-2-[(4-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine
CID 62321169
2-[2-(2-methoxyethoxy)ethyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 102928862
6-(methoxymethyl)-N-methyl-2-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 55086950
2-[(4-methylphenyl)methyl]-N,6-dipropylpyrimidin-4-amine
CID 63485762
6-(methoxymethyl)-2-[(3-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine
CID 62319868
2-[(3-chlorophenyl)methyl]-N,6-dipropylpyrimidin-4-amine
CID 63486808

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-(methoxymethyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 2-benzyl-6-(methoxymethyl)-N-propylpyrimidin-4-amine (CID 62320410) is 2-benzyl-6-(methoxymethyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-benzyl-6-(methoxymethyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-benzyl-6-(methoxymethyl)-N-propylpyrimidin-4-amine is CCCNc1cc(COC)nc(Cc2ccccc2)n1.
What is the InChIKey of 2-benzyl-6-(methoxymethyl)-N-propylpyrimidin-4-amine?
The InChIKey is BQVCMFKVQXBTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-9-17-15-11-14(12-20-2)18-16(19-15)10-13-7-5-4-6-8-13/h4-8,11H,3,9-10,12H2,1-2H3,(H,17,18,19).
What are the key properties of 2-benzyl-6-(methoxymethyl)-N-propylpyrimidin-4-amine?
2-benzyl-6-(methoxymethyl)-N-propylpyrimidin-4-amine has a molecular weight of 271.36 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-(methoxymethyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 62320410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).