2-methyl-N-[[5-(2-methylbutan-2-yloxy)-2-propan-2-ylpyrimidin-4-yl]methyl]propan-1-amine

C17H31N3O — CID 62292568

IUPAC2-methyl-N-[[5-(2-methylbutan-2-yloxy)-2-propan-2-ylpyrimidin-4-yl]methyl]propan-1-amine
SMILESCCC(C)(C)Oc1cnc(C(C)C)nc1CNCC(C)C
InChIInChI=1S/C17H31N3O/c1-8-17(6,7)21-15-11-19-16(13(4)5)20-14(15)10-18-9-12(2)3/h11-13,18H,8-10H2,1-7H3
InChIKeyCACVPLDSDWSMNV-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.91
Rot. Bonds8

About 2-methyl-N-[[5-(2-methylbutan-2-yloxy)-2-propan-2-ylpyrimidin-4-yl]methyl]propan-1-amine

2-methyl-N-[[5-(2-methylbutan-2-yloxy)-2-propan-2-ylpyrimidin-4-yl]methyl]propan-1-amine (PubChem CID 62292568) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 2-methyl-N-[[5-(2-methylbutan-2-yloxy)-2-propan-2-ylpyrimidin-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-(2-methylbutan-2-yloxy)-2-propan-2-ylpyrimidin-4-yl]methyl]propan-1-amine
PubChem CID62292568
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name2-methyl-N-[[5-(2-methylbutan-2-yloxy)-2-propan-2-ylpyrimidin-4-yl]methyl]propan-1-amine
SMILESCCC(C)(C)Oc1cnc(C(C)C)nc1CNCC(C)C
InChIInChI=1S/C17H31N3O/c1-8-17(6,7)21-15-11-19-16(13(4)5)20-14(15)10-18-9-12(2)3/h11-13,18H,8-10H2,1-7H3
InChIKeyCACVPLDSDWSMNV-UHFFFAOYSA-N
XLogP3.91
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[[5-(2-methylbutan-2-yloxy)-2-propan-2-ylpyrimidin-4-yl]methyl]propan-1-amine with MolForge

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Related Compounds

N-[[5-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine
CID 82006627
N-[[5-chloro-6-(2-methylbutan-2-yloxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62292007
N-[[5-(2-methoxyethoxy)-2-propan-2-ylpyrimidin-4-yl]methyl]propan-1-amine
CID 62291090
N-[[2-(1-ethoxyethyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 64533832
N-[(5-cyclobutyloxy-2-propan-2-ylpyrimidin-4-yl)methyl]propan-1-amine
CID 62287352
N-[[2-propan-2-yl-5-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]methyl]ethanamine
CID 62297528
N-[[2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methyl]propan-2-amine
CID 62292264
N-methyl-1-[5-(2-methylpentoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 103285362
N-[[2-(3-ethoxypentan-3-yl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 116778844
N-[[5-(oxolan-3-yloxy)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine
CID 63558504
2-methyl-N-[[2-[2-(2-methylbutan-2-yloxy)ethoxy]phenyl]methyl]propan-1-amine
CID 62456625
1-[5-(2-cyclopropylethoxy)-2-propan-2-ylpyrimidin-4-yl]-N-methylmethanamine
CID 106205475

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-(2-methylbutan-2-yloxy)-2-propan-2-ylpyrimidin-4-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[5-(2-methylbutan-2-yloxy)-2-propan-2-ylpyrimidin-4-yl]methyl]propan-1-amine (CID 62292568) is 2-methyl-N-[[5-(2-methylbutan-2-yloxy)-2-propan-2-ylpyrimidin-4-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[5-(2-methylbutan-2-yloxy)-2-propan-2-ylpyrimidin-4-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[5-(2-methylbutan-2-yloxy)-2-propan-2-ylpyrimidin-4-yl]methyl]propan-1-amine is CCC(C)(C)Oc1cnc(C(C)C)nc1CNCC(C)C.
What is the InChIKey of 2-methyl-N-[[5-(2-methylbutan-2-yloxy)-2-propan-2-ylpyrimidin-4-yl]methyl]propan-1-amine?
The InChIKey is CACVPLDSDWSMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-8-17(6,7)21-15-11-19-16(13(4)5)20-14(15)10-18-9-12(2)3/h11-13,18H,8-10H2,1-7H3.
What are the key properties of 2-methyl-N-[[5-(2-methylbutan-2-yloxy)-2-propan-2-ylpyrimidin-4-yl]methyl]propan-1-amine?
2-methyl-N-[[5-(2-methylbutan-2-yloxy)-2-propan-2-ylpyrimidin-4-yl]methyl]propan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-(2-methylbutan-2-yloxy)-2-propan-2-ylpyrimidin-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 62292568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).