N-[1-(3-aminophenyl)ethyl]-6-propylpyrimidin-4-amine

C15H20N4 — CID 61240540

IUPACN-[1-(3-aminophenyl)ethyl]-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NC(C)c2cccc(N)c2)ncn1
InChIInChI=1S/C15H20N4/c1-3-5-14-9-15(18-10-17-14)19-11(2)12-6-4-7-13(16)8-12/h4,6-11H,3,5,16H2,1-2H3,(H,17,18,19)
InChIKeyRBPMBNSQVZHOCA-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.18
Rot. Bonds5

About N-[1-(3-aminophenyl)ethyl]-6-propylpyrimidin-4-amine

N-[1-(3-aminophenyl)ethyl]-6-propylpyrimidin-4-amine (PubChem CID 61240540) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[1-(3-aminophenyl)ethyl]-6-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(3-aminophenyl)ethyl]-6-propylpyrimidin-4-amine
PubChem CID61240540
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN-[1-(3-aminophenyl)ethyl]-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NC(C)c2cccc(N)c2)ncn1
InChIInChI=1S/C15H20N4/c1-3-5-14-9-15(18-10-17-14)19-11(2)12-6-4-7-13(16)8-12/h4,6-11H,3,5,16H2,1-2H3,(H,17,18,19)
InChIKeyRBPMBNSQVZHOCA-UHFFFAOYSA-N
XLogP3.18
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[1-(furan-2-yl)ethyl]-6-propylpyrimidin-4-amine
CID 61239949
2-phenyl-2-[(6-propylpyrimidin-4-yl)amino]ethanol
CID 55157881
N-[1-(3-aminophenyl)ethyl]pyridin-2-amine
CID 60869070
N-[1-(5-methylthiophen-2-yl)ethyl]-6-propylpyrimidin-4-amine
CID 54953837
4-N-(6-propylpyrimidin-4-yl)benzene-1,4-diamine
CID 61240712
N-(5-methylhexan-2-yl)-6-propylpyrimidin-4-amine
CID 63926924
1-N-(6-propylpyrimidin-4-yl)butane-1,3-diamine
CID 63251185
N-[3-[1-[(6-ethylpyrimidin-4-yl)amino]ethyl]phenyl]acetamide
CID 61234394
6-(aminomethyl)-N-[1-(3-aminophenyl)ethyl]pyridin-2-amine;formic acid
CID 171678869
N-pent-1-yn-3-yl-6-propylpyrimidin-4-amine
CID 106231185
N-octan-4-yl-6-propylpyrimidin-4-amine
CID 106026552
N-(2-phenylethyl)-6-propylpyrimidin-4-amine
CID 61240140

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-aminophenyl)ethyl]-6-propylpyrimidin-4-amine?
The IUPAC name of N-[1-(3-aminophenyl)ethyl]-6-propylpyrimidin-4-amine (CID 61240540) is N-[1-(3-aminophenyl)ethyl]-6-propylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(3-aminophenyl)ethyl]-6-propylpyrimidin-4-amine?
The canonical SMILES for N-[1-(3-aminophenyl)ethyl]-6-propylpyrimidin-4-amine is CCCc1cc(NC(C)c2cccc(N)c2)ncn1.
What is the InChIKey of N-[1-(3-aminophenyl)ethyl]-6-propylpyrimidin-4-amine?
The InChIKey is RBPMBNSQVZHOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-3-5-14-9-15(18-10-17-14)19-11(2)12-6-4-7-13(16)8-12/h4,6-11H,3,5,16H2,1-2H3,(H,17,18,19).
What are the key properties of N-[1-(3-aminophenyl)ethyl]-6-propylpyrimidin-4-amine?
N-[1-(3-aminophenyl)ethyl]-6-propylpyrimidin-4-amine has a molecular weight of 256.35 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-aminophenyl)ethyl]-6-propylpyrimidin-4-amine is sourced from PubChem (CID 61240540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).