N-[2-(4-aminophenyl)ethyl]-6-propan-2-yloxypyrimidin-4-amine

C15H20N4O — CID 66331408

IUPACN-[2-(4-aminophenyl)ethyl]-6-propan-2-yloxypyrimidin-4-amine
SMILESCC(C)Oc1cc(NCCc2ccc(N)cc2)ncn1
InChIInChI=1S/C15H20N4O/c1-11(2)20-15-9-14(18-10-19-15)17-8-7-12-3-5-13(16)6-4-12/h3-6,9-11H,7-8,16H2,1-2H3,(H,17,18,19)
InChIKeyCTBBWWOVZRUZLM-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.50
Rot. Bonds6

About N-[2-(4-aminophenyl)ethyl]-6-propan-2-yloxypyrimidin-4-amine

N-[2-(4-aminophenyl)ethyl]-6-propan-2-yloxypyrimidin-4-amine (PubChem CID 66331408) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-6-propan-2-yloxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-6-propan-2-yloxypyrimidin-4-amine
PubChem CID66331408
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-[2-(4-aminophenyl)ethyl]-6-propan-2-yloxypyrimidin-4-amine
SMILESCC(C)Oc1cc(NCCc2ccc(N)cc2)ncn1
InChIInChI=1S/C15H20N4O/c1-11(2)20-15-9-14(18-10-19-15)17-8-7-12-3-5-13(16)6-4-12/h3-6,9-11H,7-8,16H2,1-2H3,(H,17,18,19)
InChIKeyCTBBWWOVZRUZLM-UHFFFAOYSA-N
XLogP2.50
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-propan-2-yloxy-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine
CID 66329575
N'-propan-2-yl-N-(6-propan-2-yloxypyrimidin-4-yl)ethane-1,2-diamine
CID 66334042
N-[2-(2-fluorophenyl)ethyl]-6-propan-2-yloxypyrimidin-4-amine
CID 66325709
4-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]phenol
CID 114332586
N-[2-(1-methylimidazol-2-yl)ethyl]-6-propan-2-yloxypyrimidin-4-amine
CID 66329570
4-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]phenol
CID 66326603
N-[2-(4-chlorophenyl)ethyl]-6-methoxypyrimidin-4-amine
CID 66327633
4-[2-[(6-ethoxypyrimidin-4-yl)amino]ethyl]phenol
CID 66330560
6-ethoxy-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 66324894
N',N'-diethyl-N-(6-propan-2-yloxypyrimidin-4-yl)propane-1,3-diamine
CID 66325096
6-propan-2-yloxy-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine
CID 83143319
2-ethyl-1-N-(6-propan-2-yloxypyrimidin-4-yl)butane-1,2-diamine
CID 113283234

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-6-propan-2-yloxypyrimidin-4-amine?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-6-propan-2-yloxypyrimidin-4-amine (CID 66331408) is N-[2-(4-aminophenyl)ethyl]-6-propan-2-yloxypyrimidin-4-amine.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-6-propan-2-yloxypyrimidin-4-amine?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-6-propan-2-yloxypyrimidin-4-amine is CC(C)Oc1cc(NCCc2ccc(N)cc2)ncn1.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-6-propan-2-yloxypyrimidin-4-amine?
The InChIKey is CTBBWWOVZRUZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11(2)20-15-9-14(18-10-19-15)17-8-7-12-3-5-13(16)6-4-12/h3-6,9-11H,7-8,16H2,1-2H3,(H,17,18,19).
What are the key properties of N-[2-(4-aminophenyl)ethyl]-6-propan-2-yloxypyrimidin-4-amine?
N-[2-(4-aminophenyl)ethyl]-6-propan-2-yloxypyrimidin-4-amine has a molecular weight of 272.35 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-6-propan-2-yloxypyrimidin-4-amine is sourced from PubChem (CID 66331408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).