N-ethyl-6-hydrazinyl-N-(4-methylphenyl)-5-propylpyrimidin-4-amine

C16H23N5 — CID 80903906

IUPACN-ethyl-6-hydrazinyl-N-(4-methylphenyl)-5-propylpyrimidin-4-amine
SMILESCCCc1c(NN)ncnc1N(CC)c1ccc(C)cc1
InChIInChI=1S/C16H23N5/c1-4-6-14-15(20-17)18-11-19-16(14)21(5-2)13-9-7-12(3)8-10-13/h7-11H,4-6,17H2,1-3H3,(H,18,19,20)
InChIKeyLRMAFDDVMCWPFW-UHFFFAOYSA-N
MW285.40 g/mol
LogP3.18
Rot. Bonds6

About N-ethyl-6-hydrazinyl-N-(4-methylphenyl)-5-propylpyrimidin-4-amine

N-ethyl-6-hydrazinyl-N-(4-methylphenyl)-5-propylpyrimidin-4-amine (PubChem CID 80903906) has the molecular formula C16H23N5 and a molecular weight of 285.40 g/mol. Its IUPAC name is N-ethyl-6-hydrazinyl-N-(4-methylphenyl)-5-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-hydrazinyl-N-(4-methylphenyl)-5-propylpyrimidin-4-amine
PubChem CID80903906
Molecular FormulaC16H23N5
Molecular Weight285.40 g/mol
Exact Mass285.20
IUPAC NameN-ethyl-6-hydrazinyl-N-(4-methylphenyl)-5-propylpyrimidin-4-amine
SMILESCCCc1c(NN)ncnc1N(CC)c1ccc(C)cc1
InChIInChI=1S/C16H23N5/c1-4-6-14-15(20-17)18-11-19-16(14)21(5-2)13-9-7-12(3)8-10-13/h7-11H,4-6,17H2,1-3H3,(H,18,19,20)
InChIKeyLRMAFDDVMCWPFW-UHFFFAOYSA-N
XLogP3.18
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.40
LogP ≤ 53.18
H-Bond Donors ≤ 52
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,N-dimethyl-5-propylpyrimidin-4-amine
CID 80932720
N-(4-fluorophenyl)-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine
CID 80908843
6-hydrazinyl-N-(4-methoxyphenyl)-N-methyl-5-propylpyrimidin-4-amine
CID 80900380
6-hydrazinyl-N-[1-(4-methylphenyl)ethyl]-5-propylpyrimidin-4-amine
CID 80901929
N-ethyl-6-hydrazinyl-5-propyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 80900573
6-hydrazinyl-N-methyl-N-pentan-2-yl-5-propylpyrimidin-4-amine
CID 80906528
1-[ethyl-(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
CID 80923421
N-ethyl-6-hydrazinyl-5-methyl-N-(3-methylphenyl)pyrimidin-4-amine
CID 80899461
2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]propan-1-ol
CID 104557148
N-(1,1-dioxothiolan-3-yl)-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine
CID 80899134
N-[(4-fluorophenyl)methyl]-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine
CID 80899566
3-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]propanenitrile
CID 80916482

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-hydrazinyl-N-(4-methylphenyl)-5-propylpyrimidin-4-amine?
The IUPAC name of N-ethyl-6-hydrazinyl-N-(4-methylphenyl)-5-propylpyrimidin-4-amine (CID 80903906) is N-ethyl-6-hydrazinyl-N-(4-methylphenyl)-5-propylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-hydrazinyl-N-(4-methylphenyl)-5-propylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-hydrazinyl-N-(4-methylphenyl)-5-propylpyrimidin-4-amine is CCCc1c(NN)ncnc1N(CC)c1ccc(C)cc1.
What is the InChIKey of N-ethyl-6-hydrazinyl-N-(4-methylphenyl)-5-propylpyrimidin-4-amine?
The InChIKey is LRMAFDDVMCWPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-4-6-14-15(20-17)18-11-19-16(14)21(5-2)13-9-7-12(3)8-10-13/h7-11H,4-6,17H2,1-3H3,(H,18,19,20).
What are the key properties of N-ethyl-6-hydrazinyl-N-(4-methylphenyl)-5-propylpyrimidin-4-amine?
N-ethyl-6-hydrazinyl-N-(4-methylphenyl)-5-propylpyrimidin-4-amine has a molecular weight of 285.40 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-hydrazinyl-N-(4-methylphenyl)-5-propylpyrimidin-4-amine is sourced from PubChem (CID 80903906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).