6-hydrazinyl-N-[1-(4-methylphenyl)ethyl]-2-propylpyrimidin-4-amine

C16H23N5 — CID 80942940

IUPAC6-hydrazinyl-N-[1-(4-methylphenyl)ethyl]-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NN)cc(NC(C)c2ccc(C)cc2)n1
InChIInChI=1S/C16H23N5/c1-4-5-14-19-15(10-16(20-14)21-17)18-12(3)13-8-6-11(2)7-9-13/h6-10,12H,4-5,17H2,1-3H3,(H2,18,19,20,21)
InChIKeyNMVDVFNFGXUKID-UHFFFAOYSA-N
MW285.40 g/mol
LogP3.20
Rot. Bonds6

About 6-hydrazinyl-N-[1-(4-methylphenyl)ethyl]-2-propylpyrimidin-4-amine

6-hydrazinyl-N-[1-(4-methylphenyl)ethyl]-2-propylpyrimidin-4-amine (PubChem CID 80942940) has the molecular formula C16H23N5 and a molecular weight of 285.40 g/mol. Its IUPAC name is 6-hydrazinyl-N-[1-(4-methylphenyl)ethyl]-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-[1-(4-methylphenyl)ethyl]-2-propylpyrimidin-4-amine
PubChem CID80942940
Molecular FormulaC16H23N5
Molecular Weight285.40 g/mol
Exact Mass285.20
IUPAC Name6-hydrazinyl-N-[1-(4-methylphenyl)ethyl]-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NN)cc(NC(C)c2ccc(C)cc2)n1
InChIInChI=1S/C16H23N5/c1-4-5-14-19-15(10-16(20-14)21-17)18-12(3)13-8-6-11(2)7-9-13/h6-10,12H,4-5,17H2,1-3H3,(H2,18,19,20,21)
InChIKeyNMVDVFNFGXUKID-UHFFFAOYSA-N
XLogP3.20
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.40
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-hydrazinyl-N-(1-phenylethyl)-2-propylpyrimidin-4-amine
CID 80947755
6-hydrazinyl-N-(3-methylpentan-2-yl)-2-propylpyrimidin-4-amine
CID 80946706
2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propan-1-ol
CID 80947239
6-chloro-N-[1-(4-chlorophenyl)ethyl]-2-propylpyrimidin-4-amine
CID 80940901
ethyl 2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propanoate
CID 80947723
N-[1-(4-bromophenyl)ethyl]-6-chloro-2-propylpyrimidin-4-amine
CID 80938179
6-methoxy-N-[1-(4-methoxyphenyl)ethyl]-2-propylpyrimidin-4-amine
CID 82453817
methyl 2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propanoate
CID 80947630
2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]butan-1-ol
CID 80947147
6-chloro-5-methyl-N-[1-(4-methylphenyl)ethyl]-2-propylpyrimidin-4-amine
CID 80978917
6-hydrazinyl-N-(4-methoxybutan-2-yl)-2-propylpyrimidin-4-amine
CID 80946800
3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methylpropan-1-ol
CID 80947904

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-[1-(4-methylphenyl)ethyl]-2-propylpyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-[1-(4-methylphenyl)ethyl]-2-propylpyrimidin-4-amine (CID 80942940) is 6-hydrazinyl-N-[1-(4-methylphenyl)ethyl]-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-[1-(4-methylphenyl)ethyl]-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-[1-(4-methylphenyl)ethyl]-2-propylpyrimidin-4-amine is CCCc1nc(NN)cc(NC(C)c2ccc(C)cc2)n1.
What is the InChIKey of 6-hydrazinyl-N-[1-(4-methylphenyl)ethyl]-2-propylpyrimidin-4-amine?
The InChIKey is NMVDVFNFGXUKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-4-5-14-19-15(10-16(20-14)21-17)18-12(3)13-8-6-11(2)7-9-13/h6-10,12H,4-5,17H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 6-hydrazinyl-N-[1-(4-methylphenyl)ethyl]-2-propylpyrimidin-4-amine?
6-hydrazinyl-N-[1-(4-methylphenyl)ethyl]-2-propylpyrimidin-4-amine has a molecular weight of 285.40 g/mol, XLogP of 3.20, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-[1-(4-methylphenyl)ethyl]-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80942940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).