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

C15H27N3O — CID 103285362

IUPACN-methyl-1-[5-(2-methylpentoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine
SMILESCCCC(C)COc1cnc(C(C)C)nc1CNC
InChIInChI=1S/C15H27N3O/c1-6-7-12(4)10-19-14-9-17-15(11(2)3)18-13(14)8-16-5/h9,11-12,16H,6-8,10H2,1-5H3
InChIKeyPZVKAGHELPKGLC-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.13
Rot. Bonds8

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

N-methyl-1-[5-(2-methylpentoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine (PubChem CID 103285362) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-methyl-1-[5-(2-methylpentoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(2-methylpentoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine
PubChem CID103285362
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-methyl-1-[5-(2-methylpentoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine
SMILESCCCC(C)COc1cnc(C(C)C)nc1CNC
InChIInChI=1S/C15H27N3O/c1-6-7-12(4)10-19-14-9-17-15(11(2)3)18-13(14)8-16-5/h9,11-12,16H,6-8,10H2,1-5H3
InChIKeyPZVKAGHELPKGLC-UHFFFAOYSA-N
XLogP3.13
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(chloromethyl)-5-(2-methylpentoxy)-2-propan-2-ylpyrimidine
CID 103284564
1-[5-(2-cyclopropylethoxy)-2-propan-2-ylpyrimidin-4-yl]-N-methylmethanamine
CID 106205475
N-methyl-1-[5-(2-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 62297509
1-[5-(4-chlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]-N-methylmethanamine
CID 62297314
N-[[5-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine
CID 82006627
1-[5-(2,5-difluorophenoxy)-2-propan-2-ylpyrimidin-4-yl]-N-methylmethanamine
CID 63272979
N-[[5-(2-methoxyethoxy)-2-propan-2-ylpyrimidin-4-yl]methyl]propan-1-amine
CID 62291090
[5-(2-ethylhexoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
CID 62087264
N-ethyl-4-(methylaminomethyl)-2-propan-2-yl-N-propylpyrimidin-5-amine
CID 62278678
1-[5-(2-bromo-4-fluorophenoxy)-2-propan-2-ylpyrimidin-4-yl]-N-methylmethanamine
CID 62297784
4-(chloromethyl)-2-propan-2-yl-5-propoxypyrimidine
CID 62087446
1-[5-(4-chloro-3-fluorophenoxy)-2-propan-2-ylpyrimidin-4-yl]-N-methylmethanamine
CID 82718693

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(2-methylpentoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine?
The IUPAC name of N-methyl-1-[5-(2-methylpentoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine (CID 103285362) is N-methyl-1-[5-(2-methylpentoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-(2-methylpentoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-(2-methylpentoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine is CCCC(C)COc1cnc(C(C)C)nc1CNC.
What is the InChIKey of N-methyl-1-[5-(2-methylpentoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine?
The InChIKey is PZVKAGHELPKGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-6-7-12(4)10-19-14-9-17-15(11(2)3)18-13(14)8-16-5/h9,11-12,16H,6-8,10H2,1-5H3.
What are the key properties of N-methyl-1-[5-(2-methylpentoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine?
N-methyl-1-[5-(2-methylpentoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine has a molecular weight of 265.40 g/mol, XLogP of 3.13, 8 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-methylpentoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine is sourced from PubChem (CID 103285362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).