N-butan-2-yl-5-chloro-2-hydrazinyl-N-(2-methoxyethyl)pyrimidin-4-amine

C11H20ClN5O — CID 80905477

IUPACN-butan-2-yl-5-chloro-2-hydrazinyl-N-(2-methoxyethyl)pyrimidin-4-amine
SMILESCCC(C)N(CCOC)c1nc(NN)ncc1Cl
InChIInChI=1S/C11H20ClN5O/c1-4-8(2)17(5-6-18-3)10-9(12)7-14-11(15-10)16-13/h7-8H,4-6,13H2,1-3H3,(H,14,15,16)
InChIKeyHFQGCAKZLRSTNW-UHFFFAOYSA-N
MW273.77 g/mol
LogP1.67
Rot. Bonds7

About N-butan-2-yl-5-chloro-2-hydrazinyl-N-(2-methoxyethyl)pyrimidin-4-amine

N-butan-2-yl-5-chloro-2-hydrazinyl-N-(2-methoxyethyl)pyrimidin-4-amine (PubChem CID 80905477) has the molecular formula C11H20ClN5O and a molecular weight of 273.77 g/mol. Its IUPAC name is N-butan-2-yl-5-chloro-2-hydrazinyl-N-(2-methoxyethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-butan-2-yl-5-chloro-2-hydrazinyl-N-(2-methoxyethyl)pyrimidin-4-amine
PubChem CID80905477
Molecular FormulaC11H20ClN5O
Molecular Weight273.77 g/mol
Exact Mass273.14
IUPAC NameN-butan-2-yl-5-chloro-2-hydrazinyl-N-(2-methoxyethyl)pyrimidin-4-amine
SMILESCCC(C)N(CCOC)c1nc(NN)ncc1Cl
InChIInChI=1S/C11H20ClN5O/c1-4-8(2)17(5-6-18-3)10-9(12)7-14-11(15-10)16-13/h7-8H,4-6,13H2,1-3H3,(H,14,15,16)
InChIKeyHFQGCAKZLRSTNW-UHFFFAOYSA-N
XLogP1.67
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.77
LogP ≤ 51.67
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

5-chloro-4-N-(2-methoxyethyl)-2-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine
CID 80821249
5-chloro-2-hydrazinyl-N-(3-methoxypropyl)-N-methylpyrimidin-4-amine
CID 80913814
2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)-propan-2-ylamino]ethanol
CID 80904213
N-butan-2-yl-3,5,6-trichloro-N-(2-methoxyethyl)pyridin-2-amine
CID 102750784
5-chloro-2-N-ethyl-4-N,4-N-bis(2-methoxyethyl)pyrimidine-2,4-diamine
CID 80795233
5-chloro-N-(2-ethoxyethyl)-N-ethyl-2-hydrazinylpyrimidin-4-amine
CID 80909247
5-chloro-4-N-(2-methoxyethyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80796727
5-chloro-2-N,4-N-diethyl-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 80808649
2-hydrazinyl-N-(2-methoxyethyl)-N-pentan-3-ylpyrimidin-4-amine
CID 80900777
5-bromo-N-ethyl-2-hydrazinyl-N-(1-methoxypropan-2-yl)pyrimidin-4-amine
CID 80901659
5-chloro-4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 80821177
4-N-butan-2-yl-2-chloro-4-N-(2-methoxyethyl)-6-methylpyrimidine-4,5-diamine
CID 114043716

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-chloro-2-hydrazinyl-N-(2-methoxyethyl)pyrimidin-4-amine?
The IUPAC name of N-butan-2-yl-5-chloro-2-hydrazinyl-N-(2-methoxyethyl)pyrimidin-4-amine (CID 80905477) is N-butan-2-yl-5-chloro-2-hydrazinyl-N-(2-methoxyethyl)pyrimidin-4-amine.
What is the SMILES notation for N-butan-2-yl-5-chloro-2-hydrazinyl-N-(2-methoxyethyl)pyrimidin-4-amine?
The canonical SMILES for N-butan-2-yl-5-chloro-2-hydrazinyl-N-(2-methoxyethyl)pyrimidin-4-amine is CCC(C)N(CCOC)c1nc(NN)ncc1Cl.
What is the InChIKey of N-butan-2-yl-5-chloro-2-hydrazinyl-N-(2-methoxyethyl)pyrimidin-4-amine?
The InChIKey is HFQGCAKZLRSTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN5O/c1-4-8(2)17(5-6-18-3)10-9(12)7-14-11(15-10)16-13/h7-8H,4-6,13H2,1-3H3,(H,14,15,16).
What are the key properties of N-butan-2-yl-5-chloro-2-hydrazinyl-N-(2-methoxyethyl)pyrimidin-4-amine?
N-butan-2-yl-5-chloro-2-hydrazinyl-N-(2-methoxyethyl)pyrimidin-4-amine has a molecular weight of 273.77 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-chloro-2-hydrazinyl-N-(2-methoxyethyl)pyrimidin-4-amine is sourced from PubChem (CID 80905477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).