N-(4,4-dimethylcyclohexyl)-6-hydrazinyl-2-propylpyrimidin-4-amine

C15H27N5 — CID 80946562

IUPACN-(4,4-dimethylcyclohexyl)-6-hydrazinyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NN)cc(NC2CCC(C)(C)CC2)n1
InChIInChI=1S/C15H27N5/c1-4-5-12-18-13(10-14(19-12)20-16)17-11-6-8-15(2,3)9-7-11/h10-11H,4-9,16H2,1-3H3,(H2,17,18,19,20)
InChIKeySDFHKWWPYUCDRK-UHFFFAOYSA-N
MW277.42 g/mol
LogP3.10
Rot. Bonds5

About N-(4,4-dimethylcyclohexyl)-6-hydrazinyl-2-propylpyrimidin-4-amine

N-(4,4-dimethylcyclohexyl)-6-hydrazinyl-2-propylpyrimidin-4-amine (PubChem CID 80946562) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is N-(4,4-dimethylcyclohexyl)-6-hydrazinyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4,4-dimethylcyclohexyl)-6-hydrazinyl-2-propylpyrimidin-4-amine
PubChem CID80946562
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC NameN-(4,4-dimethylcyclohexyl)-6-hydrazinyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NN)cc(NC2CCC(C)(C)CC2)n1
InChIInChI=1S/C15H27N5/c1-4-5-12-18-13(10-14(19-12)20-16)17-11-6-8-15(2,3)9-7-11/h10-11H,4-9,16H2,1-3H3,(H2,17,18,19,20)
InChIKeySDFHKWWPYUCDRK-UHFFFAOYSA-N
XLogP3.10
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 53.10
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-methylpiperidin-3-yl)-2-propylpyrimidin-4-amine
CID 80947154
N-(4,4-dimethylcyclohexyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 81006435
4-N-(4,4-dimethylcyclohexyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80940937
4-N-cyclopropyl-2-propylpyrimidine-4,6-diamine
CID 80945616
4-N-(3,3-dimethylcyclopentyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 114542352
N-(4,4-dimethylcyclohexyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720779
4-N-(4,4-dimethylcyclohexyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80837025
N-(cyclopentylmethyl)-6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80947878
6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propylpyrimidin-4-amine
CID 80947083
4-N-(3,3-dimethylcyclopentyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 114542211
6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80947336
4-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80940576

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylcyclohexyl)-6-hydrazinyl-2-propylpyrimidin-4-amine?
The IUPAC name of N-(4,4-dimethylcyclohexyl)-6-hydrazinyl-2-propylpyrimidin-4-amine (CID 80946562) is N-(4,4-dimethylcyclohexyl)-6-hydrazinyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for N-(4,4-dimethylcyclohexyl)-6-hydrazinyl-2-propylpyrimidin-4-amine?
The canonical SMILES for N-(4,4-dimethylcyclohexyl)-6-hydrazinyl-2-propylpyrimidin-4-amine is CCCc1nc(NN)cc(NC2CCC(C)(C)CC2)n1.
What is the InChIKey of N-(4,4-dimethylcyclohexyl)-6-hydrazinyl-2-propylpyrimidin-4-amine?
The InChIKey is SDFHKWWPYUCDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-4-5-12-18-13(10-14(19-12)20-16)17-11-6-8-15(2,3)9-7-11/h10-11H,4-9,16H2,1-3H3,(H2,17,18,19,20).
What are the key properties of N-(4,4-dimethylcyclohexyl)-6-hydrazinyl-2-propylpyrimidin-4-amine?
N-(4,4-dimethylcyclohexyl)-6-hydrazinyl-2-propylpyrimidin-4-amine has a molecular weight of 277.42 g/mol, XLogP of 3.10, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylcyclohexyl)-6-hydrazinyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80946562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).