5-phenylmethoxy-N-propan-2-ylpyrimidin-2-amine

C14H17N3O — CID 154136331

IUPAC5-phenylmethoxy-N-propan-2-ylpyrimidin-2-amine
SMILESCC(C)Nc1ncc(OCc2ccccc2)cn1
InChIInChI=1S/C14H17N3O/c1-11(2)17-14-15-8-13(9-16-14)18-10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,15,16,17)
InChIKeyNOBMCJZUSXFKLM-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.88
Rot. Bonds5

About 5-phenylmethoxy-N-propan-2-ylpyrimidin-2-amine

5-phenylmethoxy-N-propan-2-ylpyrimidin-2-amine (PubChem CID 154136331) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 5-phenylmethoxy-N-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-phenylmethoxy-N-propan-2-ylpyrimidin-2-amine
PubChem CID154136331
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name5-phenylmethoxy-N-propan-2-ylpyrimidin-2-amine
SMILESCC(C)Nc1ncc(OCc2ccccc2)cn1
InChIInChI=1S/C14H17N3O/c1-11(2)17-14-15-8-13(9-16-14)18-10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,15,16,17)
InChIKeyNOBMCJZUSXFKLM-UHFFFAOYSA-N
XLogP2.88
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-5-phenylmethoxypyrimidin-2-amine
CID 130337236
2-methyl-5-phenylmethoxypyrimidine
CID 59993103
2-iodo-5-phenylmethoxypyrimidine
CID 153056979
5-phenylmethoxypyrimidin-2-amine
CID 20748397
2-phenyl-5-phenylmethoxypyrimidine
CID 151774114
6-N-(4-phenylmethoxyphenyl)-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112854646
methyl-tris(4-phenylmethoxyphenyl)silane
CID 90283739
3-(4-phenylmethoxyphenoxy)-N-propan-2-ylpropan-1-amine
CID 13338480
4-phenylmethoxy-1-propan-2-ylpyrazole
CID 91900757
N-(2-methylpropyl)-2-(4-phenylmethoxyanilino)pyrimidine-5-carboxamide
CID 109248589
2-bromo-N-(5-phenylmethoxy-2-pyridinyl)propanamide
CID 163237790
2-(4-phenylmethoxyanilino)propanoic acid
CID 22078170

Frequently Asked Questions

What is the IUPAC name of 5-phenylmethoxy-N-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 5-phenylmethoxy-N-propan-2-ylpyrimidin-2-amine (CID 154136331) is 5-phenylmethoxy-N-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 5-phenylmethoxy-N-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 5-phenylmethoxy-N-propan-2-ylpyrimidin-2-amine is CC(C)Nc1ncc(OCc2ccccc2)cn1.
What is the InChIKey of 5-phenylmethoxy-N-propan-2-ylpyrimidin-2-amine?
The InChIKey is NOBMCJZUSXFKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-11(2)17-14-15-8-13(9-16-14)18-10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,15,16,17).
What are the key properties of 5-phenylmethoxy-N-propan-2-ylpyrimidin-2-amine?
5-phenylmethoxy-N-propan-2-ylpyrimidin-2-amine has a molecular weight of 243.31 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylmethoxy-N-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 154136331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).