2-cyclopropyl-6-hydrazinyl-N-(3-methylbutyl)pyrimidin-4-amine

C12H21N5 — CID 80969047

IUPAC2-cyclopropyl-6-hydrazinyl-N-(3-methylbutyl)pyrimidin-4-amine
SMILESCC(C)CCNc1cc(NN)nc(C2CC2)n1
InChIInChI=1S/C12H21N5/c1-8(2)5-6-14-10-7-11(17-13)16-12(15-10)9-3-4-9/h7-9H,3-6,13H2,1-2H3,(H2,14,15,16,17)
InChIKeySKEVOFGMWAVGIY-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.10
Rot. Bonds6

About 2-cyclopropyl-6-hydrazinyl-N-(3-methylbutyl)pyrimidin-4-amine

2-cyclopropyl-6-hydrazinyl-N-(3-methylbutyl)pyrimidin-4-amine (PubChem CID 80969047) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-cyclopropyl-6-hydrazinyl-N-(3-methylbutyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-hydrazinyl-N-(3-methylbutyl)pyrimidin-4-amine
PubChem CID80969047
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name2-cyclopropyl-6-hydrazinyl-N-(3-methylbutyl)pyrimidin-4-amine
SMILESCC(C)CCNc1cc(NN)nc(C2CC2)n1
InChIInChI=1S/C12H21N5/c1-8(2)5-6-14-10-7-11(17-13)16-12(15-10)9-3-4-9/h7-9H,3-6,13H2,1-2H3,(H2,14,15,16,17)
InChIKeySKEVOFGMWAVGIY-UHFFFAOYSA-N
XLogP2.10
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.10
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-2-methyl-N-(3-methylbutyl)pyrimidin-4-amine
CID 80932318
6-hydrazinyl-N-(3-methylbutyl)-2-propan-2-ylpyrimidin-4-amine
CID 80969046
2-cyclopropyl-6-hydrazinyl-N-pentylpyrimidin-4-amine
CID 80968524
2-cyclopropyl-6-hydrazinyl-N-(2-methylbutyl)pyrimidin-4-amine
CID 80964832
2-N-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82950002
methyl 3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]propanoate
CID 80964074
N-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 80968725
3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 80964019
2-cyclohexyl-6-methoxy-N-(3-methylbutyl)pyrimidin-4-amine
CID 82458360
2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]ethyl carbamate
CID 83215227
2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide
CID 106341124
3-[2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea
CID 83118304

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-hydrazinyl-N-(3-methylbutyl)pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-hydrazinyl-N-(3-methylbutyl)pyrimidin-4-amine (CID 80969047) is 2-cyclopropyl-6-hydrazinyl-N-(3-methylbutyl)pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-hydrazinyl-N-(3-methylbutyl)pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-hydrazinyl-N-(3-methylbutyl)pyrimidin-4-amine is CC(C)CCNc1cc(NN)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-hydrazinyl-N-(3-methylbutyl)pyrimidin-4-amine?
The InChIKey is SKEVOFGMWAVGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-8(2)5-6-14-10-7-11(17-13)16-12(15-10)9-3-4-9/h7-9H,3-6,13H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 2-cyclopropyl-6-hydrazinyl-N-(3-methylbutyl)pyrimidin-4-amine?
2-cyclopropyl-6-hydrazinyl-N-(3-methylbutyl)pyrimidin-4-amine has a molecular weight of 235.33 g/mol, XLogP of 2.10, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-hydrazinyl-N-(3-methylbutyl)pyrimidin-4-amine is sourced from PubChem (CID 80969047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).