N-(1-cyclohexylethyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine

C16H29N5 — CID 81007115

IUPACN-(1-cyclohexylethyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NN)c(C)c(NC(C)C2CCCCC2)n1
InChIInChI=1S/C16H29N5/c1-4-8-14-19-15(11(2)16(20-14)21-17)18-12(3)13-9-6-5-7-10-13/h12-13H,4-10,17H2,1-3H3,(H2,18,19,20,21)
InChIKeyOIBKXUXTLHPNNC-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.40
Rot. Bonds6

About N-(1-cyclohexylethyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine

N-(1-cyclohexylethyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine (PubChem CID 81007115) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-(1-cyclohexylethyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-cyclohexylethyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
PubChem CID81007115
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC NameN-(1-cyclohexylethyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NN)c(C)c(NC(C)C2CCCCC2)n1
InChIInChI=1S/C16H29N5/c1-4-8-14-19-15(11(2)16(20-14)21-17)18-12(3)13-9-6-5-7-10-13/h12-13H,4-10,17H2,1-3H3,(H2,18,19,20,21)
InChIKeyOIBKXUXTLHPNNC-UHFFFAOYSA-N
XLogP3.40
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.40
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-5-methyl-N-[1-(oxolan-2-yl)ethyl]-2-propylpyrimidin-4-amine
CID 80995507
N-(cyclohexylmethyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 80995285
4-N-(1-cyclopentylethyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80985622
N-(1-cyclohexylethyl)-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80918571
N-(3,3-dimethylbutan-2-yl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 113458137
(6-cyclohexylsulfanyl-5-methyl-2-propylpyrimidin-4-yl)hydrazine
CID 81001237
6-hydrazinyl-5-methyl-N-(2-methylcyclohexyl)-2-propylpyrimidin-4-amine
CID 81001589
4-N-(1-cyclopentylethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80835008
6-hydrazinyl-5-methyl-N-(4-methylhexan-2-yl)-2-propylpyrimidin-4-amine
CID 81007165
N-(4,4-dimethylcyclohexyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 81006435
N-(3-cyclopentylpropyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 106012944
6-hydrazinyl-5-methyl-N-(2-methylpropyl)-2-propylpyrimidin-4-amine
CID 81001135

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylethyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine?
The IUPAC name of N-(1-cyclohexylethyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine (CID 81007115) is N-(1-cyclohexylethyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for N-(1-cyclohexylethyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine?
The canonical SMILES for N-(1-cyclohexylethyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine is CCCc1nc(NN)c(C)c(NC(C)C2CCCCC2)n1.
What is the InChIKey of N-(1-cyclohexylethyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine?
The InChIKey is OIBKXUXTLHPNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-4-8-14-19-15(11(2)16(20-14)21-17)18-12(3)13-9-6-5-7-10-13/h12-13H,4-10,17H2,1-3H3,(H2,18,19,20,21).
What are the key properties of N-(1-cyclohexylethyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine?
N-(1-cyclohexylethyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine has a molecular weight of 291.44 g/mol, XLogP of 3.40, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylethyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 81007115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).