1-[5-(2-cyclopropylethoxy)-2-propan-2-ylpyrimidin-4-yl]-N-methylmethanamine

C14H23N3O — CID 106205475

IUPAC1-[5-(2-cyclopropylethoxy)-2-propan-2-ylpyrimidin-4-yl]-N-methylmethanamine
SMILESCNCc1nc(C(C)C)ncc1OCCC1CC1
InChIInChI=1S/C14H23N3O/c1-10(2)14-16-9-13(12(17-14)8-15-3)18-7-6-11-4-5-11/h9-11,15H,4-8H2,1-3H3
InChIKeyUIHHDCFCMUQPIR-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.50
Rot. Bonds7

About 1-[5-(2-cyclopropylethoxy)-2-propan-2-ylpyrimidin-4-yl]-N-methylmethanamine

1-[5-(2-cyclopropylethoxy)-2-propan-2-ylpyrimidin-4-yl]-N-methylmethanamine (PubChem CID 106205475) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-[5-(2-cyclopropylethoxy)-2-propan-2-ylpyrimidin-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(2-cyclopropylethoxy)-2-propan-2-ylpyrimidin-4-yl]-N-methylmethanamine
PubChem CID106205475
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-[5-(2-cyclopropylethoxy)-2-propan-2-ylpyrimidin-4-yl]-N-methylmethanamine
SMILESCNCc1nc(C(C)C)ncc1OCCC1CC1
InChIInChI=1S/C14H23N3O/c1-10(2)14-16-9-13(12(17-14)8-15-3)18-7-6-11-4-5-11/h9-11,15H,4-8H2,1-3H3
InChIKeyUIHHDCFCMUQPIR-UHFFFAOYSA-N
XLogP2.50
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[5-(2-methylpentoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 103285362
[5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 62321625
1-[5-(4-chlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]-N-methylmethanamine
CID 62297314
N-methyl-1-[5-(2-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 62297509
4-(chloromethyl)-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-2-propan-2-ylpyrimidine
CID 62086914
N-[(5-cyclopentyloxy-2-propan-2-ylpyrimidin-4-yl)methyl]propan-2-amine
CID 62290994
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
N-[[2-propan-2-yl-5-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]methyl]ethanamine
CID 62297528
[5-(2-piperidin-1-ylethoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 62297532
N-[[2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methyl]propan-2-amine
CID 62292264
1-[5-(2-bromo-4-fluorophenoxy)-2-propan-2-ylpyrimidin-4-yl]-N-methylmethanamine
CID 62297784

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-cyclopropylethoxy)-2-propan-2-ylpyrimidin-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(2-cyclopropylethoxy)-2-propan-2-ylpyrimidin-4-yl]-N-methylmethanamine (CID 106205475) is 1-[5-(2-cyclopropylethoxy)-2-propan-2-ylpyrimidin-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(2-cyclopropylethoxy)-2-propan-2-ylpyrimidin-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(2-cyclopropylethoxy)-2-propan-2-ylpyrimidin-4-yl]-N-methylmethanamine is CNCc1nc(C(C)C)ncc1OCCC1CC1.
What is the InChIKey of 1-[5-(2-cyclopropylethoxy)-2-propan-2-ylpyrimidin-4-yl]-N-methylmethanamine?
The InChIKey is UIHHDCFCMUQPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10(2)14-16-9-13(12(17-14)8-15-3)18-7-6-11-4-5-11/h9-11,15H,4-8H2,1-3H3.
What are the key properties of 1-[5-(2-cyclopropylethoxy)-2-propan-2-ylpyrimidin-4-yl]-N-methylmethanamine?
1-[5-(2-cyclopropylethoxy)-2-propan-2-ylpyrimidin-4-yl]-N-methylmethanamine has a molecular weight of 249.36 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-cyclopropylethoxy)-2-propan-2-ylpyrimidin-4-yl]-N-methylmethanamine is sourced from PubChem (CID 106205475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).