2-cyclopropyl-6-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methylpyrimidin-4-amine

C12H21N5O — CID 80964513

IUPAC2-cyclopropyl-6-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methylpyrimidin-4-amine
SMILESCOCC(C)N(C)c1cc(NN)nc(C2CC2)n1
InChIInChI=1S/C12H21N5O/c1-8(7-18-3)17(2)11-6-10(16-13)14-12(15-11)9-4-5-9/h6,8-9H,4-5,7,13H2,1-3H3,(H,14,15,16)
InChIKeyBKVXUTKNJSNMBI-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.11
Rot. Bonds6

About 2-cyclopropyl-6-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methylpyrimidin-4-amine

2-cyclopropyl-6-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methylpyrimidin-4-amine (PubChem CID 80964513) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-cyclopropyl-6-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methylpyrimidin-4-amine
PubChem CID80964513
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name2-cyclopropyl-6-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methylpyrimidin-4-amine
SMILESCOCC(C)N(C)c1cc(NN)nc(C2CC2)n1
InChIInChI=1S/C12H21N5O/c1-8(7-18-3)17(2)11-6-10(16-13)14-12(15-11)9-4-5-9/h6,8-9H,4-5,7,13H2,1-3H3,(H,14,15,16)
InChIKeyBKVXUTKNJSNMBI-UHFFFAOYSA-N
XLogP1.11
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-methoxypropan-2-yl)-N,2-dimethylpyrimidin-4-amine
CID 80895894
2-cyclopropyl-6-hydrazinyl-N-methyl-N-(2-methylbutyl)pyrimidin-4-amine
CID 80963764
2-cyclopropyl-N,N-diethyl-6-hydrazinylpyrimidin-4-amine
CID 80968922
1-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-methylamino]propan-2-ol
CID 80964380
2-cyclopropyl-6-hydrazinyl-N-(1-methoxybutan-2-yl)pyrimidin-4-amine
CID 80968993
4-N-butan-2-yl-2-cyclopropyl-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80967225
2-cyclopropyl-6-hydrazinyl-N-methyl-N-(2-methylbutan-2-yl)pyrimidin-4-amine
CID 80968340
2-cyclopropyl-6-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-ylpyrimidin-4-amine
CID 80968796
2-cyclopropyl-6-hydrazinyl-N-methyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80965115
3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-ethylamino]-2-methylpropanenitrile
CID 80964091
2-cyclopropyl-4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,6-diamine
CID 80961398
2-N-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82950002

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methylpyrimidin-4-amine (CID 80964513) is 2-cyclopropyl-6-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methylpyrimidin-4-amine is COCC(C)N(C)c1cc(NN)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methylpyrimidin-4-amine?
The InChIKey is BKVXUTKNJSNMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-8(7-18-3)17(2)11-6-10(16-13)14-12(15-11)9-4-5-9/h6,8-9H,4-5,7,13H2,1-3H3,(H,14,15,16).
What are the key properties of 2-cyclopropyl-6-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methylpyrimidin-4-amine?
2-cyclopropyl-6-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methylpyrimidin-4-amine has a molecular weight of 251.33 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 80964513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).