N-(2-phenylethyl)-4-propan-2-yloxypyrimidin-2-amine

C15H19N3O — CID 112636503

IUPACN-(2-phenylethyl)-4-propan-2-yloxypyrimidin-2-amine
SMILESCC(C)Oc1ccnc(NCCc2ccccc2)n1
InChIInChI=1S/C15H19N3O/c1-12(2)19-14-9-11-17-15(18-14)16-10-8-13-6-4-3-5-7-13/h3-7,9,11-12H,8,10H2,1-2H3,(H,16,17,18)
InChIKeyINGURMKKLCSISC-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.92
Rot. Bonds6

About N-(2-phenylethyl)-4-propan-2-yloxypyrimidin-2-amine

N-(2-phenylethyl)-4-propan-2-yloxypyrimidin-2-amine (PubChem CID 112636503) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(2-phenylethyl)-4-propan-2-yloxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-phenylethyl)-4-propan-2-yloxypyrimidin-2-amine
PubChem CID112636503
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-(2-phenylethyl)-4-propan-2-yloxypyrimidin-2-amine
SMILESCC(C)Oc1ccnc(NCCc2ccccc2)n1
InChIInChI=1S/C15H19N3O/c1-12(2)19-14-9-11-17-15(18-14)16-10-8-13-6-4-3-5-7-13/h3-7,9,11-12H,8,10H2,1-2H3,(H,16,17,18)
InChIKeyINGURMKKLCSISC-UHFFFAOYSA-N
XLogP2.92
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-N-(2-phenylethyl)pyrimidin-2-amine
CID 112636504
4-propan-2-yloxy-N-propylpyrimidin-2-amine
CID 80860726
N-(2-methoxyethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636373
N-(4-methylpentyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636998
N-[[4-(2-aminoethyl)phenyl]methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 115975353
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-propan-2-yloxypyrimidin-2-amine
CID 106404662
2-N-(2-phenylethyl)-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112882002
N-[2-(5-bromothiophen-2-yl)ethyl]-4-propan-2-yloxypyrimidin-2-amine
CID 106048968
N-[2-(1H-imidazol-5-yl)ethyl]-4-propan-2-yloxypyrimidin-2-amine
CID 112638009
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-propan-2-yloxypyrimidin-2-amine
CID 112637612
N'-(4-propan-2-yloxypyrimidin-2-yl)hexane-1,6-diamine
CID 114008164
N'-(4-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine
CID 107323665

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-4-propan-2-yloxypyrimidin-2-amine?
The IUPAC name of N-(2-phenylethyl)-4-propan-2-yloxypyrimidin-2-amine (CID 112636503) is N-(2-phenylethyl)-4-propan-2-yloxypyrimidin-2-amine.
What is the SMILES notation for N-(2-phenylethyl)-4-propan-2-yloxypyrimidin-2-amine?
The canonical SMILES for N-(2-phenylethyl)-4-propan-2-yloxypyrimidin-2-amine is CC(C)Oc1ccnc(NCCc2ccccc2)n1.
What is the InChIKey of N-(2-phenylethyl)-4-propan-2-yloxypyrimidin-2-amine?
The InChIKey is INGURMKKLCSISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-12(2)19-14-9-11-17-15(18-14)16-10-8-13-6-4-3-5-7-13/h3-7,9,11-12H,8,10H2,1-2H3,(H,16,17,18).
What are the key properties of N-(2-phenylethyl)-4-propan-2-yloxypyrimidin-2-amine?
N-(2-phenylethyl)-4-propan-2-yloxypyrimidin-2-amine has a molecular weight of 257.34 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-4-propan-2-yloxypyrimidin-2-amine is sourced from PubChem (CID 112636503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).