6-hydrazinyl-N-[2-(3-methylcyclohexyl)ethyl]-2-propylpyrimidin-4-amine

C16H29N5 — CID 80942828

IUPAC6-hydrazinyl-N-[2-(3-methylcyclohexyl)ethyl]-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NN)cc(NCCC2CCCC(C)C2)n1
InChIInChI=1S/C16H29N5/c1-3-5-14-19-15(11-16(20-14)21-17)18-9-8-13-7-4-6-12(2)10-13/h11-13H,3-10,17H2,1-2H3,(H2,18,19,20,21)
InChIKeyCIOVQODGCKNEOI-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.34
Rot. Bonds7

About 6-hydrazinyl-N-[2-(3-methylcyclohexyl)ethyl]-2-propylpyrimidin-4-amine

6-hydrazinyl-N-[2-(3-methylcyclohexyl)ethyl]-2-propylpyrimidin-4-amine (PubChem CID 80942828) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 6-hydrazinyl-N-[2-(3-methylcyclohexyl)ethyl]-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-[2-(3-methylcyclohexyl)ethyl]-2-propylpyrimidin-4-amine
PubChem CID80942828
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name6-hydrazinyl-N-[2-(3-methylcyclohexyl)ethyl]-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NN)cc(NCCC2CCCC(C)C2)n1
InChIInChI=1S/C16H29N5/c1-3-5-14-19-15(11-16(20-14)21-17)18-9-8-13-7-4-6-12(2)10-13/h11-13H,3-10,17H2,1-2H3,(H2,18,19,20,21)
InChIKeyCIOVQODGCKNEOI-UHFFFAOYSA-N
XLogP3.34
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.34
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

4-N-(2-cyclopentylethyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80955141
N-(cyclopentylmethyl)-6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80947878
2-ethyl-4-N-[2-(3-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine
CID 80934639
N-[2-(3-methylcyclohexyl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine
CID 65273710
6-hydrazinyl-N-octyl-2-propylpyrimidin-4-amine
CID 115565446
6-(3-methylcyclohexyl)oxy-N,2-dipropylpyrimidin-4-amine
CID 80943941
4-N-(3-cyclopentylpropyl)-2-propylpyrimidine-4,6-diamine
CID 106014934
4-N-[(3-methylcyclopentyl)methyl]-2-propylpyrimidine-4,6-diamine
CID 107415976
6-hydrazinyl-2-propyl-N-(thiolan-2-ylmethyl)pyrimidin-4-amine
CID 80946656
2-methyl-6-[2-(3-methylcyclohexyl)ethylamino]pyridine-4-carbonitrile
CID 114766330
6-hydrazinyl-N-[2-(3-methylcyclohexyl)ethyl]-3-nitropyridin-2-amine
CID 80906290
6-ethoxy-N-[2-(3-methylcyclohexyl)ethyl]pyrimidin-4-amine
CID 66329019

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-[2-(3-methylcyclohexyl)ethyl]-2-propylpyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-[2-(3-methylcyclohexyl)ethyl]-2-propylpyrimidin-4-amine (CID 80942828) is 6-hydrazinyl-N-[2-(3-methylcyclohexyl)ethyl]-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-[2-(3-methylcyclohexyl)ethyl]-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-[2-(3-methylcyclohexyl)ethyl]-2-propylpyrimidin-4-amine is CCCc1nc(NN)cc(NCCC2CCCC(C)C2)n1.
What is the InChIKey of 6-hydrazinyl-N-[2-(3-methylcyclohexyl)ethyl]-2-propylpyrimidin-4-amine?
The InChIKey is CIOVQODGCKNEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-3-5-14-19-15(11-16(20-14)21-17)18-9-8-13-7-4-6-12(2)10-13/h11-13H,3-10,17H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 6-hydrazinyl-N-[2-(3-methylcyclohexyl)ethyl]-2-propylpyrimidin-4-amine?
6-hydrazinyl-N-[2-(3-methylcyclohexyl)ethyl]-2-propylpyrimidin-4-amine has a molecular weight of 291.44 g/mol, XLogP of 3.34, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-[2-(3-methylcyclohexyl)ethyl]-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80942828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).