N-[[2-(cyclopropylmethoxy)-6-methylpyrimidin-4-yl]methyl]propan-2-amine

C13H21N3O — CID 114221213

IUPACN-[[2-(cyclopropylmethoxy)-6-methylpyrimidin-4-yl]methyl]propan-2-amine
SMILESCc1cc(CNC(C)C)nc(OCC2CC2)n1
InChIInChI=1S/C13H21N3O/c1-9(2)14-7-12-6-10(3)15-13(16-12)17-8-11-4-5-11/h6,9,11,14H,4-5,7-8H2,1-3H3
InChIKeyZHAXBPSIHSXRPX-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.07
Rot. Bonds6

About N-[[2-(cyclopropylmethoxy)-6-methylpyrimidin-4-yl]methyl]propan-2-amine

N-[[2-(cyclopropylmethoxy)-6-methylpyrimidin-4-yl]methyl]propan-2-amine (PubChem CID 114221213) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[[2-(cyclopropylmethoxy)-6-methylpyrimidin-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(cyclopropylmethoxy)-6-methylpyrimidin-4-yl]methyl]propan-2-amine
PubChem CID114221213
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-[[2-(cyclopropylmethoxy)-6-methylpyrimidin-4-yl]methyl]propan-2-amine
SMILESCc1cc(CNC(C)C)nc(OCC2CC2)n1
InChIInChI=1S/C13H21N3O/c1-9(2)14-7-12-6-10(3)15-13(16-12)17-8-11-4-5-11/h6,9,11,14H,4-5,7-8H2,1-3H3
InChIKeyZHAXBPSIHSXRPX-UHFFFAOYSA-N
XLogP2.07
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-(cyclopropylmethoxy)-6-methylpyrimidin-4-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[6-methyl-2-(3-methylcyclopentyl)pyrimidin-4-yl]methyl]propan-2-amine
CID 65415250
N-[[4-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]propan-2-amine
CID 43560086
N-[[6-methyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine
CID 65400572
2-(cyclopentylmethoxy)-6-methylpyrimidine-4-carbonitrile
CID 107545986
N-[[2-[cyclohexyl(methoxy)methyl]-6-methylpyrimidin-4-yl]methyl]propan-2-amine
CID 116778665
N-[[2-(3-ethylcyclohexyl)-6-methylpyrimidin-4-yl]methyl]propan-2-amine
CID 65415249
N-[[6-methyl-2-(oxolan-2-yl)pyrimidin-4-yl]methyl]propan-2-amine
CID 65328783
[6-methyl-2-(oxolan-3-ylmethoxy)pyrimidin-4-yl]methanamine
CID 107542654
N-[[5-bromo-2-(cyclopropylmethoxy)-3-methylphenyl]methyl]propan-2-amine
CID 112620322
N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]propan-2-amine
CID 55114190
[2-(2-cyclopropylethoxy)-6-methylpyrimidin-4-yl]methanamine
CID 106199453
N-[[2-(cyclohexylsulfanylmethyl)-6-methylpyrimidin-4-yl]methyl]propan-2-amine
CID 65144269

Frequently Asked Questions

What is the IUPAC name of N-[[2-(cyclopropylmethoxy)-6-methylpyrimidin-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(cyclopropylmethoxy)-6-methylpyrimidin-4-yl]methyl]propan-2-amine (CID 114221213) is N-[[2-(cyclopropylmethoxy)-6-methylpyrimidin-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(cyclopropylmethoxy)-6-methylpyrimidin-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(cyclopropylmethoxy)-6-methylpyrimidin-4-yl]methyl]propan-2-amine is Cc1cc(CNC(C)C)nc(OCC2CC2)n1.
What is the InChIKey of N-[[2-(cyclopropylmethoxy)-6-methylpyrimidin-4-yl]methyl]propan-2-amine?
The InChIKey is ZHAXBPSIHSXRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9(2)14-7-12-6-10(3)15-13(16-12)17-8-11-4-5-11/h6,9,11,14H,4-5,7-8H2,1-3H3.
What are the key properties of N-[[2-(cyclopropylmethoxy)-6-methylpyrimidin-4-yl]methyl]propan-2-amine?
N-[[2-(cyclopropylmethoxy)-6-methylpyrimidin-4-yl]methyl]propan-2-amine has a molecular weight of 235.33 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(cyclopropylmethoxy)-6-methylpyrimidin-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 114221213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).