N'-(5-amino-6-propan-2-yloxypyrimidin-4-yl)-2-bromobenzohydrazide

C14H16BrN5O2 — CID 19151380

IUPACN'-(5-amino-6-propan-2-yloxypyrimidin-4-yl)-2-bromobenzohydrazide
SMILESCC(C)Oc1ncnc(NNC(=O)c2ccccc2Br)c1N
InChIInChI=1S/C14H16BrN5O2/c1-8(2)22-14-11(16)12(17-7-18-14)19-20-13(21)9-5-3-4-6-10(9)15/h3-8H,16H2,1-2H3,(H,20,21)(H,17,18,19)
InChIKeyPHKRDVBQBBTUGG-UHFFFAOYSA-N
MW366.22 g/mol
LogP2.37
Rot. Bonds5

About N'-(5-amino-6-propan-2-yloxypyrimidin-4-yl)-2-bromobenzohydrazide

N'-(5-amino-6-propan-2-yloxypyrimidin-4-yl)-2-bromobenzohydrazide (PubChem CID 19151380) has the molecular formula C14H16BrN5O2 and a molecular weight of 366.22 g/mol. Its IUPAC name is N'-(5-amino-6-propan-2-yloxypyrimidin-4-yl)-2-bromobenzohydrazide.

Molecular Properties

Compound NameN'-(5-amino-6-propan-2-yloxypyrimidin-4-yl)-2-bromobenzohydrazide
PubChem CID19151380
Molecular FormulaC14H16BrN5O2
Molecular Weight366.22 g/mol
Exact Mass365.05
IUPAC NameN'-(5-amino-6-propan-2-yloxypyrimidin-4-yl)-2-bromobenzohydrazide
SMILESCC(C)Oc1ncnc(NNC(=O)c2ccccc2Br)c1N
InChIInChI=1S/C14H16BrN5O2/c1-8(2)22-14-11(16)12(17-7-18-14)19-20-13(21)9-5-3-4-6-10(9)15/h3-8H,16H2,1-2H3,(H,20,21)(H,17,18,19)
InChIKeyPHKRDVBQBBTUGG-UHFFFAOYSA-N
XLogP2.37
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.22
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[5-amino-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-2-bromobenzohydrazide
CID 19151417
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-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]-2-bromobenzohydrazide
CID 19149616
N'-[5-amino-6-(4-methylphenyl)sulfanylpyrimidin-4-yl]-2-bromobenzohydrazide
CID 19149902
N'-[5-amino-6-[2-(4-methylphenyl)sulfonylhydrazinyl]pyrimidin-4-yl]-2-bromobenzohydrazide
CID 19151374
N'-[5-amino-6-(naphthalen-1-ylamino)pyrimidin-4-yl]-2-bromobenzohydrazide
CID 19145054
N'-[5-amino-6-(3,4-difluoroanilino)pyrimidin-4-yl]-2-bromobenzohydrazide
CID 19151410
N'-[5-amino-6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]-2-bromobenzohydrazide
CID 19140174
N'-(5-amino-6-ethoxypyrimidin-4-yl)-2-methoxybenzohydrazide
CID 19151456
N'-[5-amino-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-2-bromobenzohydrazide
CID 19138617
N'-[5-amino-6-(2,4-dichloroanilino)pyrimidin-4-yl]-2-bromobenzohydrazide
CID 19149808

Frequently Asked Questions

What is the IUPAC name of N'-(5-amino-6-propan-2-yloxypyrimidin-4-yl)-2-bromobenzohydrazide?
The IUPAC name of N'-(5-amino-6-propan-2-yloxypyrimidin-4-yl)-2-bromobenzohydrazide (CID 19151380) is N'-(5-amino-6-propan-2-yloxypyrimidin-4-yl)-2-bromobenzohydrazide.
What is the SMILES notation for N'-(5-amino-6-propan-2-yloxypyrimidin-4-yl)-2-bromobenzohydrazide?
The canonical SMILES for N'-(5-amino-6-propan-2-yloxypyrimidin-4-yl)-2-bromobenzohydrazide is CC(C)Oc1ncnc(NNC(=O)c2ccccc2Br)c1N.
What is the InChIKey of N'-(5-amino-6-propan-2-yloxypyrimidin-4-yl)-2-bromobenzohydrazide?
The InChIKey is PHKRDVBQBBTUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN5O2/c1-8(2)22-14-11(16)12(17-7-18-14)19-20-13(21)9-5-3-4-6-10(9)15/h3-8H,16H2,1-2H3,(H,20,21)(H,17,18,19).
What are the key properties of N'-(5-amino-6-propan-2-yloxypyrimidin-4-yl)-2-bromobenzohydrazide?
N'-(5-amino-6-propan-2-yloxypyrimidin-4-yl)-2-bromobenzohydrazide has a molecular weight of 366.22 g/mol, XLogP of 2.37, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-amino-6-propan-2-yloxypyrimidin-4-yl)-2-bromobenzohydrazide is sourced from PubChem (CID 19151380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).