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

C14H18N4O — CID 112638872

IUPACN-[(4-aminophenyl)methyl]-4-propan-2-yloxypyrimidin-2-amine
SMILESCC(C)Oc1ccnc(NCc2ccc(N)cc2)n1
InChIInChI=1S/C14H18N4O/c1-10(2)19-13-7-8-16-14(18-13)17-9-11-3-5-12(15)6-4-11/h3-8,10H,9,15H2,1-2H3,(H,16,17,18)
InChIKeyWZYNYTIMWJWVBB-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.46
Rot. Bonds5

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

N-[(4-aminophenyl)methyl]-4-propan-2-yloxypyrimidin-2-amine (PubChem CID 112638872) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-4-propan-2-yloxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-4-propan-2-yloxypyrimidin-2-amine
PubChem CID112638872
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-[(4-aminophenyl)methyl]-4-propan-2-yloxypyrimidin-2-amine
SMILESCC(C)Oc1ccnc(NCc2ccc(N)cc2)n1
InChIInChI=1S/C14H18N4O/c1-10(2)19-13-7-8-16-14(18-13)17-9-11-3-5-12(15)6-4-11/h3-8,10H,9,15H2,1-2H3,(H,16,17,18)
InChIKeyWZYNYTIMWJWVBB-UHFFFAOYSA-N
XLogP2.46
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.46
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

N-[[4-(2-aminoethyl)phenyl]methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 115975353
4-propan-2-yloxy-N-propylpyrimidin-2-amine
CID 80860726
4-ethoxy-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-2-amine
CID 115974875
4-propan-2-yloxy-N-prop-2-enylpyrimidin-2-amine
CID 112637442
N-(2-methoxyethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636373
N'-(4-propan-2-yloxypyrimidin-2-yl)hexane-1,6-diamine
CID 114008164
N-(2-phenylethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636503
N'-(4-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine
CID 107323665
N-(4-methylpentyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636998
N-[(5-methylthiophen-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 112637415
N-[(5-methylfuran-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 112637500
2,2-difluoro-N'-(4-propan-2-yloxypyrimidin-2-yl)propane-1,3-diamine
CID 114384250

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-4-propan-2-yloxypyrimidin-2-amine?
The IUPAC name of N-[(4-aminophenyl)methyl]-4-propan-2-yloxypyrimidin-2-amine (CID 112638872) is N-[(4-aminophenyl)methyl]-4-propan-2-yloxypyrimidin-2-amine.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-4-propan-2-yloxypyrimidin-2-amine?
The canonical SMILES for N-[(4-aminophenyl)methyl]-4-propan-2-yloxypyrimidin-2-amine is CC(C)Oc1ccnc(NCc2ccc(N)cc2)n1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-4-propan-2-yloxypyrimidin-2-amine?
The InChIKey is WZYNYTIMWJWVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10(2)19-13-7-8-16-14(18-13)17-9-11-3-5-12(15)6-4-11/h3-8,10H,9,15H2,1-2H3,(H,16,17,18).
What are the key properties of N-[(4-aminophenyl)methyl]-4-propan-2-yloxypyrimidin-2-amine?
N-[(4-aminophenyl)methyl]-4-propan-2-yloxypyrimidin-2-amine has a molecular weight of 258.32 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-4-propan-2-yloxypyrimidin-2-amine is sourced from PubChem (CID 112638872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).