N'-[5-amino-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-2-bromobenzohydrazide

C15H19BrN6O2 — CID 19151417

IUPACN'-[5-amino-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-2-bromobenzohydrazide
SMILESCOCC(C)Nc1ncnc(NNC(=O)c2ccccc2Br)c1N
InChIInChI=1S/C15H19BrN6O2/c1-9(7-24-2)20-13-12(17)14(19-8-18-13)21-22-15(23)10-5-3-4-6-11(10)16/h3-6,8-9H,7,17H2,1-2H3,(H,22,23)(H2,18,19,20,21)
InChIKeyZUIYYURBWLIUJQ-UHFFFAOYSA-N
MW395.26 g/mol
LogP2.03
Rot. Bonds7

About N'-[5-amino-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-2-bromobenzohydrazide

N'-[5-amino-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-2-bromobenzohydrazide (PubChem CID 19151417) has the molecular formula C15H19BrN6O2 and a molecular weight of 395.26 g/mol. Its IUPAC name is N'-[5-amino-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-2-bromobenzohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-2-bromobenzohydrazide
PubChem CID19151417
Molecular FormulaC15H19BrN6O2
Molecular Weight395.26 g/mol
Exact Mass394.08
IUPAC NameN'-[5-amino-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-2-bromobenzohydrazide
SMILESCOCC(C)Nc1ncnc(NNC(=O)c2ccccc2Br)c1N
InChIInChI=1S/C15H19BrN6O2/c1-9(7-24-2)20-13-12(17)14(19-8-18-13)21-22-15(23)10-5-3-4-6-11(10)16/h3-6,8-9H,7,17H2,1-2H3,(H,22,23)(H2,18,19,20,21)
InChIKeyZUIYYURBWLIUJQ-UHFFFAOYSA-N
XLogP2.03
TPSA114.19 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.26
LogP ≤ 52.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(5-amino-6-propan-2-yloxypyrimidin-4-yl)-2-bromobenzohydrazide
CID 19151380
N'-[5-amino-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 19151719
4-N,6-N-bis(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine
CID 19154117
4-N-(1-methoxypropan-2-yl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
CID 19144412
N'-[5-amino-6-[2-(2-bromobenzoyl)hydrazinyl]pyrimidin-4-yl]pyridine-4-carbohydrazide
CID 19151370
N'-[5-amino-6-(4-methylanilino)pyrimidin-4-yl]-2-bromobenzohydrazide
CID 19148592
N'-[5-amino-6-(4-methylphenyl)sulfanylpyrimidin-4-yl]-2-bromobenzohydrazide
CID 19149902
methyl 2-[[5-amino-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-methylamino]benzoate
CID 19154066
N'-[5-amino-6-(naphthalen-1-ylamino)pyrimidin-4-yl]-2-bromobenzohydrazide
CID 19145054
N'-[5-amino-6-(1-phenylethylamino)pyrimidin-4-yl]-2-methoxybenzohydrazide
CID 19145725
N'-[5-amino-6-[2-(4-methylphenyl)sulfonylhydrazinyl]pyrimidin-4-yl]-2-bromobenzohydrazide
CID 19151374
N'-[5-amino-6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]-2-bromobenzohydrazide
CID 19149616

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-2-bromobenzohydrazide?
The IUPAC name of N'-[5-amino-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-2-bromobenzohydrazide (CID 19151417) is N'-[5-amino-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-2-bromobenzohydrazide.
What is the SMILES notation for N'-[5-amino-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-2-bromobenzohydrazide?
The canonical SMILES for N'-[5-amino-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-2-bromobenzohydrazide is COCC(C)Nc1ncnc(NNC(=O)c2ccccc2Br)c1N.
What is the InChIKey of N'-[5-amino-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-2-bromobenzohydrazide?
The InChIKey is ZUIYYURBWLIUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN6O2/c1-9(7-24-2)20-13-12(17)14(19-8-18-13)21-22-15(23)10-5-3-4-6-11(10)16/h3-6,8-9H,7,17H2,1-2H3,(H,22,23)(H2,18,19,20,21).
What are the key properties of N'-[5-amino-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-2-bromobenzohydrazide?
N'-[5-amino-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-2-bromobenzohydrazide has a molecular weight of 395.26 g/mol, XLogP of 2.03, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-2-bromobenzohydrazide is sourced from PubChem (CID 19151417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).