2-cyclopropyl-6-hydrazinyl-N-(1-methoxybutan-2-yl)pyrimidin-4-amine

C12H21N5O — CID 80968993

IUPAC2-cyclopropyl-6-hydrazinyl-N-(1-methoxybutan-2-yl)pyrimidin-4-amine
SMILESCCC(COC)Nc1cc(NN)nc(C2CC2)n1
InChIInChI=1S/C12H21N5O/c1-3-9(7-18-2)14-10-6-11(17-13)16-12(15-10)8-4-5-8/h6,8-9H,3-5,7,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyKCQLQKCNJSGQLW-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.48
Rot. Bonds7

About 2-cyclopropyl-6-hydrazinyl-N-(1-methoxybutan-2-yl)pyrimidin-4-amine

2-cyclopropyl-6-hydrazinyl-N-(1-methoxybutan-2-yl)pyrimidin-4-amine (PubChem CID 80968993) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-cyclopropyl-6-hydrazinyl-N-(1-methoxybutan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-hydrazinyl-N-(1-methoxybutan-2-yl)pyrimidin-4-amine
PubChem CID80968993
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name2-cyclopropyl-6-hydrazinyl-N-(1-methoxybutan-2-yl)pyrimidin-4-amine
SMILESCCC(COC)Nc1cc(NN)nc(C2CC2)n1
InChIInChI=1S/C12H21N5O/c1-3-9(7-18-2)14-10-6-11(17-13)16-12(15-10)8-4-5-8/h6,8-9H,3-5,7,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyKCQLQKCNJSGQLW-UHFFFAOYSA-N
XLogP1.48
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.48
H-Bond Donors ≤ 53
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

2-cyclopropyl-6-N-ethyl-4-N-(1-methoxypentan-2-yl)pyrimidine-4,6-diamine
CID 80959752
2-cyclopropyl-6-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methylpyrimidin-4-amine
CID 80964513
6-chloro-2-cyclopropyl-N-pentan-3-ylpyrimidin-4-amine
CID 80948003
2-cyclopropyl-4-N-[(2S)-1-methoxypropan-2-yl]-6-N-methylpyrimidine-4,6-diamine
CID 129380989
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
[2-(4-ethylcyclohexyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine
CID 65390733
4-N-(1-methoxybutan-2-yl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80959645
1-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol
CID 106256622
methyl 2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]acetate
CID 80969747
4-N-(1-methoxybutan-2-yl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80950094
[6-(methoxymethyl)-2-(4-propylcyclohexyl)pyrimidin-4-yl]hydrazine
CID 65401170

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-hydrazinyl-N-(1-methoxybutan-2-yl)pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-hydrazinyl-N-(1-methoxybutan-2-yl)pyrimidin-4-amine (CID 80968993) is 2-cyclopropyl-6-hydrazinyl-N-(1-methoxybutan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-hydrazinyl-N-(1-methoxybutan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-hydrazinyl-N-(1-methoxybutan-2-yl)pyrimidin-4-amine is CCC(COC)Nc1cc(NN)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-hydrazinyl-N-(1-methoxybutan-2-yl)pyrimidin-4-amine?
The InChIKey is KCQLQKCNJSGQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-3-9(7-18-2)14-10-6-11(17-13)16-12(15-10)8-4-5-8/h6,8-9H,3-5,7,13H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 2-cyclopropyl-6-hydrazinyl-N-(1-methoxybutan-2-yl)pyrimidin-4-amine?
2-cyclopropyl-6-hydrazinyl-N-(1-methoxybutan-2-yl)pyrimidin-4-amine has a molecular weight of 251.33 g/mol, XLogP of 1.48, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-hydrazinyl-N-(1-methoxybutan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 80968993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).