N-(2,2-dimethylcyclopropyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine

C12H21N5 — CID 80908900

IUPACN-(2,2-dimethylcyclopropyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1c(NN)ncnc1NC1CC1(C)C
InChIInChI=1S/C12H21N5/c1-7(2)9-10(14-6-15-11(9)17-13)16-8-5-12(8,3)4/h6-8H,5,13H2,1-4H3,(H2,14,15,16,17)
InChIKeyCVTRORXWBAAWQM-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.10
Rot. Bonds4

About N-(2,2-dimethylcyclopropyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine

N-(2,2-dimethylcyclopropyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine (PubChem CID 80908900) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(2,2-dimethylcyclopropyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,2-dimethylcyclopropyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
PubChem CID80908900
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC NameN-(2,2-dimethylcyclopropyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1c(NN)ncnc1NC1CC1(C)C
InChIInChI=1S/C12H21N5/c1-7(2)9-10(14-6-15-11(9)17-13)16-8-5-12(8,3)4/h6-8H,5,13H2,1-4H3,(H2,14,15,16,17)
InChIKeyCVTRORXWBAAWQM-UHFFFAOYSA-N
XLogP2.10
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
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-5-propan-2-yl-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidin-4-amine
CID 80923075
N-tert-butyl-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
CID 80930410
6-hydrazinyl-N,5-di(propan-2-yl)pyrimidin-4-amine
CID 80932454
2-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)-1,1-dimethylhydrazine
CID 83027639
6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-propan-2-ylpyrimidin-4-amine
CID 80926873
2,2-dimethyl-3-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]cyclobutan-1-ol
CID 114632856
N-(1,3-dimethylpiperidin-4-yl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
CID 114506749
1-[[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 80908970
6-hydrazinyl-N-[(2-methylthiolan-2-yl)methyl]-5-propan-2-ylpyrimidin-4-amine
CID 80927117
6-hydrazinyl-N-[(1-methylpiperidin-4-yl)methyl]-5-propan-2-ylpyrimidin-4-amine
CID 80902596
2-[[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 80915508
2-[[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 80924426

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclopropyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-(2,2-dimethylcyclopropyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine (CID 80908900) is N-(2,2-dimethylcyclopropyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-(2,2-dimethylcyclopropyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-(2,2-dimethylcyclopropyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine is CC(C)c1c(NN)ncnc1NC1CC1(C)C.
What is the InChIKey of N-(2,2-dimethylcyclopropyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is CVTRORXWBAAWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-7(2)9-10(14-6-15-11(9)17-13)16-8-5-12(8,3)4/h6-8H,5,13H2,1-4H3,(H2,14,15,16,17).
What are the key properties of N-(2,2-dimethylcyclopropyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine?
N-(2,2-dimethylcyclopropyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 235.33 g/mol, XLogP of 2.10, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclopropyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80908900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).