N-[(2-methylpyrimidin-4-yl)methyl]-1-(3-propan-2-yloxyphenyl)methanamine

C16H21N3O — CID 61211880

IUPACN-[(2-methylpyrimidin-4-yl)methyl]-1-(3-propan-2-yloxyphenyl)methanamine
SMILESCc1nccc(CNCc2cccc(OC(C)C)c2)n1
InChIInChI=1S/C16H21N3O/c1-12(2)20-16-6-4-5-14(9-16)10-17-11-15-7-8-18-13(3)19-15/h4-9,12,17H,10-11H2,1-3H3
InChIKeyAKYIJGUBHGRDRE-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.86
Rot. Bonds6

About N-[(2-methylpyrimidin-4-yl)methyl]-1-(3-propan-2-yloxyphenyl)methanamine

N-[(2-methylpyrimidin-4-yl)methyl]-1-(3-propan-2-yloxyphenyl)methanamine (PubChem CID 61211880) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[(2-methylpyrimidin-4-yl)methyl]-1-(3-propan-2-yloxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(2-methylpyrimidin-4-yl)methyl]-1-(3-propan-2-yloxyphenyl)methanamine
PubChem CID61211880
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[(2-methylpyrimidin-4-yl)methyl]-1-(3-propan-2-yloxyphenyl)methanamine
SMILESCc1nccc(CNCc2cccc(OC(C)C)c2)n1
InChIInChI=1S/C16H21N3O/c1-12(2)20-16-6-4-5-14(9-16)10-17-11-15-7-8-18-13(3)19-15/h4-9,12,17H,10-11H2,1-3H3
InChIKeyAKYIJGUBHGRDRE-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]methanamine
CID 39357787
N-[(3-ethyl-2-pyridinyl)methyl]-1-(3-propan-2-yloxyphenyl)methanamine
CID 82732206
N-[(2-methylpyrazol-3-yl)methyl]-1-(3-propan-2-yloxyphenyl)methanamine
CID 55137874
3-butan-2-yloxy-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 62749146
1-(3,4-difluorophenyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
CID 54893579
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(3-propan-2-yloxyphenyl)methanamine
CID 112730010
1-(3-chloro-4-methylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
CID 106816664
1-(3-propan-2-yloxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 112730009
1-(3-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 60962176
2-ethoxy-4-[[(2-methylpyrimidin-4-yl)methylamino]methyl]phenol
CID 60960431
N'-methyl-N'-propan-2-yl-N-[(3-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
CID 62634740
2-(3-methoxyphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 86854917

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrimidin-4-yl)methyl]-1-(3-propan-2-yloxyphenyl)methanamine?
The IUPAC name of N-[(2-methylpyrimidin-4-yl)methyl]-1-(3-propan-2-yloxyphenyl)methanamine (CID 61211880) is N-[(2-methylpyrimidin-4-yl)methyl]-1-(3-propan-2-yloxyphenyl)methanamine.
What is the SMILES notation for N-[(2-methylpyrimidin-4-yl)methyl]-1-(3-propan-2-yloxyphenyl)methanamine?
The canonical SMILES for N-[(2-methylpyrimidin-4-yl)methyl]-1-(3-propan-2-yloxyphenyl)methanamine is Cc1nccc(CNCc2cccc(OC(C)C)c2)n1.
What is the InChIKey of N-[(2-methylpyrimidin-4-yl)methyl]-1-(3-propan-2-yloxyphenyl)methanamine?
The InChIKey is AKYIJGUBHGRDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12(2)20-16-6-4-5-14(9-16)10-17-11-15-7-8-18-13(3)19-15/h4-9,12,17H,10-11H2,1-3H3.
What are the key properties of N-[(2-methylpyrimidin-4-yl)methyl]-1-(3-propan-2-yloxyphenyl)methanamine?
N-[(2-methylpyrimidin-4-yl)methyl]-1-(3-propan-2-yloxyphenyl)methanamine has a molecular weight of 271.36 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrimidin-4-yl)methyl]-1-(3-propan-2-yloxyphenyl)methanamine is sourced from PubChem (CID 61211880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).