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

C13H23N5 — CID 80963764

IUPAC2-cyclopropyl-6-hydrazinyl-N-methyl-N-(2-methylbutyl)pyrimidin-4-amine
SMILESCCC(C)CN(C)c1cc(NN)nc(C2CC2)n1
InChIInChI=1S/C13H23N5/c1-4-9(2)8-18(3)12-7-11(17-14)15-13(16-12)10-5-6-10/h7,9-10H,4-6,8,14H2,1-3H3,(H,15,16,17)
InChIKeyDJBCLVMUTFOYLY-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.12
Rot. Bonds6

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

2-cyclopropyl-6-hydrazinyl-N-methyl-N-(2-methylbutyl)pyrimidin-4-amine (PubChem CID 80963764) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-cyclopropyl-6-hydrazinyl-N-methyl-N-(2-methylbutyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-hydrazinyl-N-methyl-N-(2-methylbutyl)pyrimidin-4-amine
PubChem CID80963764
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name2-cyclopropyl-6-hydrazinyl-N-methyl-N-(2-methylbutyl)pyrimidin-4-amine
SMILESCCC(C)CN(C)c1cc(NN)nc(C2CC2)n1
InChIInChI=1S/C13H23N5/c1-4-9(2)8-18(3)12-7-11(17-14)15-13(16-12)10-5-6-10/h7,9-10H,4-6,8,14H2,1-3H3,(H,15,16,17)
InChIKeyDJBCLVMUTFOYLY-UHFFFAOYSA-N
XLogP2.12
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.12
H-Bond Donors ≤ 52
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

1-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-methylamino]propan-2-ol
CID 80964380
2-cyclopropyl-6-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-ylpyrimidin-4-amine
CID 80968796
2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-methylamino]-N,N-diethylacetamide
CID 80963769
2-cyclopropyl-N,N-diethyl-6-hydrazinylpyrimidin-4-amine
CID 80968922
2-cyclopropyl-6-hydrazinyl-N-methyl-N-(2-methylbutan-2-yl)pyrimidin-4-amine
CID 80968340
2-cyclopropyl-6-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methylpyrimidin-4-amine
CID 80964513
2-cyclopropyl-6-hydrazinyl-N-(2-methylbutyl)pyrimidin-4-amine
CID 80964832
3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-ethylamino]-2-methylpropanenitrile
CID 80964091
N-[(5-bromothiophen-3-yl)methyl]-2-cyclopropyl-6-hydrazinyl-N-methylpyrimidin-4-amine
CID 80963819
2-N-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82950002
3-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile
CID 80962023
3-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile
CID 80962128

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-hydrazinyl-N-methyl-N-(2-methylbutyl)pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-hydrazinyl-N-methyl-N-(2-methylbutyl)pyrimidin-4-amine (CID 80963764) is 2-cyclopropyl-6-hydrazinyl-N-methyl-N-(2-methylbutyl)pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-hydrazinyl-N-methyl-N-(2-methylbutyl)pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-hydrazinyl-N-methyl-N-(2-methylbutyl)pyrimidin-4-amine is CCC(C)CN(C)c1cc(NN)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-hydrazinyl-N-methyl-N-(2-methylbutyl)pyrimidin-4-amine?
The InChIKey is DJBCLVMUTFOYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-4-9(2)8-18(3)12-7-11(17-14)15-13(16-12)10-5-6-10/h7,9-10H,4-6,8,14H2,1-3H3,(H,15,16,17).
What are the key properties of 2-cyclopropyl-6-hydrazinyl-N-methyl-N-(2-methylbutyl)pyrimidin-4-amine?
2-cyclopropyl-6-hydrazinyl-N-methyl-N-(2-methylbutyl)pyrimidin-4-amine has a molecular weight of 249.36 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-hydrazinyl-N-methyl-N-(2-methylbutyl)pyrimidin-4-amine is sourced from PubChem (CID 80963764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).