N-methyl-1-[5-(2-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine

C16H21N3O — CID 62297509

IUPACN-methyl-1-[5-(2-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine
SMILESCNCc1nc(C(C)C)ncc1Oc1ccccc1C
InChIInChI=1S/C16H21N3O/c1-11(2)16-18-10-15(13(19-16)9-17-4)20-14-8-6-5-7-12(14)3/h5-8,10-11,17H,9H2,1-4H3
InChIKeyZYISVSVMRGYZRF-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.42
Rot. Bonds5

About N-methyl-1-[5-(2-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine

N-methyl-1-[5-(2-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine (PubChem CID 62297509) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-methyl-1-[5-(2-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(2-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine
PubChem CID62297509
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-methyl-1-[5-(2-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine
SMILESCNCc1nc(C(C)C)ncc1Oc1ccccc1C
InChIInChI=1S/C16H21N3O/c1-11(2)16-18-10-15(13(19-16)9-17-4)20-14-8-6-5-7-12(14)3/h5-8,10-11,17H,9H2,1-4H3
InChIKeyZYISVSVMRGYZRF-UHFFFAOYSA-N
XLogP3.42
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(2,5-difluorophenoxy)-2-propan-2-ylpyrimidin-4-yl]-N-methylmethanamine
CID 63272979
1-[5-(2-bromo-4-fluorophenoxy)-2-propan-2-ylpyrimidin-4-yl]-N-methylmethanamine
CID 62297784
1-[5-(4-chlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]-N-methylmethanamine
CID 62297314
[2-propan-2-yl-5-(2-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine
CID 62322377
1-[5-(4-chloro-3-fluorophenoxy)-2-propan-2-ylpyrimidin-4-yl]-N-methylmethanamine
CID 82718693
N-methyl-1-[5-(2-methylpentoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 103285362
4-(chloromethyl)-5-(2-ethoxyphenoxy)-2-propan-2-ylpyrimidine
CID 62088524
1-[5-(2-cyclopropylethoxy)-2-propan-2-ylpyrimidin-4-yl]-N-methylmethanamine
CID 106205475
[5-(2-methylsulfanylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
CID 63648556
[5-(3-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 62297328
4-(aminomethyl)-N-methyl-N-(2-methylphenyl)-2-propan-2-ylpyrimidin-5-amine
CID 62286715
[5-(2-chloro-4-fluorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 62295801

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(2-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine?
The IUPAC name of N-methyl-1-[5-(2-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine (CID 62297509) is N-methyl-1-[5-(2-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-(2-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-(2-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine is CNCc1nc(C(C)C)ncc1Oc1ccccc1C.
What is the InChIKey of N-methyl-1-[5-(2-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine?
The InChIKey is ZYISVSVMRGYZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11(2)16-18-10-15(13(19-16)9-17-4)20-14-8-6-5-7-12(14)3/h5-8,10-11,17H,9H2,1-4H3.
What are the key properties of N-methyl-1-[5-(2-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine?
N-methyl-1-[5-(2-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine has a molecular weight of 271.36 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(2-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine is sourced from PubChem (CID 62297509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).