N-(4,4-dimethylcyclohexyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine

C16H29N5 — CID 81006435

IUPACN-(4,4-dimethylcyclohexyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NN)c(C)c(NC2CCC(C)(C)CC2)n1
InChIInChI=1S/C16H29N5/c1-5-6-13-19-14(11(2)15(20-13)21-17)18-12-7-9-16(3,4)10-8-12/h12H,5-10,17H2,1-4H3,(H2,18,19,20,21)
InChIKeyQTIUHBRSTRNXKV-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.40
Rot. Bonds5

About N-(4,4-dimethylcyclohexyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine

N-(4,4-dimethylcyclohexyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine (PubChem CID 81006435) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-(4,4-dimethylcyclohexyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4,4-dimethylcyclohexyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
PubChem CID81006435
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC NameN-(4,4-dimethylcyclohexyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NN)c(C)c(NC2CCC(C)(C)CC2)n1
InChIInChI=1S/C16H29N5/c1-5-6-13-19-14(11(2)15(20-13)21-17)18-12-7-9-16(3,4)10-8-12/h12H,5-10,17H2,1-4H3,(H2,18,19,20,21)
InChIKeyQTIUHBRSTRNXKV-UHFFFAOYSA-N
XLogP3.40
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
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

4-N-(4,4-dimethylcyclohexyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80984810
N-(4,4-dimethylcyclohexyl)-6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80946562
6-hydrazinyl-5-methyl-N-(2-methylcyclohexyl)-2-propylpyrimidin-4-amine
CID 81001589
N-(2,4-dimethylcyclohexyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 81005985
N-(2,3-dimethylcyclohexyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 81000906
N-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine
CID 81001780
6-chloro-N-(4,4-dimethylcyclohexyl)-2-ethyl-5-methylpyrimidin-4-amine
CID 80978454
4-N-cyclobutyl-5-methyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80982309
N-(1-cyclohexylethyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 81007115
6-chloro-N-cyclopentyl-5-methyl-2-propylpyrimidin-4-amine
CID 80970697
N-(cyclohexylmethyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 80995285
6-N-ethyl-5-methyl-4-N-(3-methylcyclopentyl)-2-propylpyrimidine-4,6-diamine
CID 114542059

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylcyclohexyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine?
The IUPAC name of N-(4,4-dimethylcyclohexyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine (CID 81006435) is N-(4,4-dimethylcyclohexyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for N-(4,4-dimethylcyclohexyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine?
The canonical SMILES for N-(4,4-dimethylcyclohexyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine is CCCc1nc(NN)c(C)c(NC2CCC(C)(C)CC2)n1.
What is the InChIKey of N-(4,4-dimethylcyclohexyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine?
The InChIKey is QTIUHBRSTRNXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-5-6-13-19-14(11(2)15(20-13)21-17)18-12-7-9-16(3,4)10-8-12/h12H,5-10,17H2,1-4H3,(H2,18,19,20,21).
What are the key properties of N-(4,4-dimethylcyclohexyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine?
N-(4,4-dimethylcyclohexyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine has a molecular weight of 291.44 g/mol, XLogP of 3.40, 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-5-methyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 81006435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).