N-[(4-butan-2-yloxypyrimidin-5-yl)methyl]-2-methylpropan-2-amine

C13H23N3O — CID 114217110

IUPACN-[(4-butan-2-yloxypyrimidin-5-yl)methyl]-2-methylpropan-2-amine
SMILESCCC(C)Oc1ncncc1CNC(C)(C)C
InChIInChI=1S/C13H23N3O/c1-6-10(2)17-12-11(7-14-9-15-12)8-16-13(3,4)5/h7,9-10,16H,6,8H2,1-5H3
InChIKeyUTNYGAIMVCNVJL-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.54
Rot. Bonds5

About N-[(4-butan-2-yloxypyrimidin-5-yl)methyl]-2-methylpropan-2-amine

N-[(4-butan-2-yloxypyrimidin-5-yl)methyl]-2-methylpropan-2-amine (PubChem CID 114217110) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[(4-butan-2-yloxypyrimidin-5-yl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(4-butan-2-yloxypyrimidin-5-yl)methyl]-2-methylpropan-2-amine
PubChem CID114217110
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-[(4-butan-2-yloxypyrimidin-5-yl)methyl]-2-methylpropan-2-amine
SMILESCCC(C)Oc1ncncc1CNC(C)(C)C
InChIInChI=1S/C13H23N3O/c1-6-10(2)17-12-11(7-14-9-15-12)8-16-13(3,4)5/h7,9-10,16H,6,8H2,1-5H3
InChIKeyUTNYGAIMVCNVJL-UHFFFAOYSA-N
XLogP2.54
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(4-methylpentan-2-yloxy)pyrimidin-5-yl]methyl]cyclopropanamine
CID 114216966
N-[[4-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]cyclopropanamine
CID 114217177
N-[[4-(2-ethylbutoxy)pyrimidin-5-yl]methyl]propan-2-amine
CID 114217247
N-[(2-butan-2-yloxy-3-methylphenyl)methyl]-2-methylpropan-2-amine
CID 112610168
2-methyl-N-[[4-(3-methylbutan-2-yloxy)-3-pyridinyl]methyl]propan-2-amine
CID 81251051
N-[(4-butan-2-yloxy-3,5-dimethylphenyl)methyl]-2-methylpropan-2-amine
CID 63501583
6-butan-2-yloxy-5-methyl-N-propylpyrimidin-4-amine
CID 80866287
N-[(2-butan-2-yloxy-5-nitrophenyl)methyl]-2-methylpropan-2-amine
CID 63056082
4-(1-ethoxypropan-2-yloxy)-5-iodopyrimidine
CID 103489535
2-methyl-N-[(4-propoxy-3-pyridinyl)methyl]propan-2-amine
CID 81255020
4-(1-methoxypropan-2-yloxy)pyrimidin-5-amine
CID 79916110
1-(4-ethoxypyrimidin-5-yl)propan-2-amine
CID 83875775

Frequently Asked Questions

What is the IUPAC name of N-[(4-butan-2-yloxypyrimidin-5-yl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(4-butan-2-yloxypyrimidin-5-yl)methyl]-2-methylpropan-2-amine (CID 114217110) is N-[(4-butan-2-yloxypyrimidin-5-yl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(4-butan-2-yloxypyrimidin-5-yl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(4-butan-2-yloxypyrimidin-5-yl)methyl]-2-methylpropan-2-amine is CCC(C)Oc1ncncc1CNC(C)(C)C.
What is the InChIKey of N-[(4-butan-2-yloxypyrimidin-5-yl)methyl]-2-methylpropan-2-amine?
The InChIKey is UTNYGAIMVCNVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-6-10(2)17-12-11(7-14-9-15-12)8-16-13(3,4)5/h7,9-10,16H,6,8H2,1-5H3.
What are the key properties of N-[(4-butan-2-yloxypyrimidin-5-yl)methyl]-2-methylpropan-2-amine?
N-[(4-butan-2-yloxypyrimidin-5-yl)methyl]-2-methylpropan-2-amine has a molecular weight of 237.35 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butan-2-yloxypyrimidin-5-yl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 114217110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).