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

C17H21BrN6O — CID 19140174

IUPACN'-[5-amino-6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]-2-bromobenzohydrazide
SMILESCC1CCCCN1c1ncnc(NNC(=O)c2ccccc2Br)c1N
InChIInChI=1S/C17H21BrN6O/c1-11-6-4-5-9-24(11)16-14(19)15(20-10-21-16)22-23-17(25)12-7-2-3-8-13(12)18/h2-3,7-8,10-11H,4-6,9,19H2,1H3,(H,23,25)(H,20,21,22)
InChIKeyZANIAXRSKIJCPZ-UHFFFAOYSA-N
MW405.30 g/mol
LogP2.96
Rot. Bonds4

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

N'-[5-amino-6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]-2-bromobenzohydrazide (PubChem CID 19140174) has the molecular formula C17H21BrN6O and a molecular weight of 405.30 g/mol. Its IUPAC name is N'-[5-amino-6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]-2-bromobenzohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]-2-bromobenzohydrazide
PubChem CID19140174
Molecular FormulaC17H21BrN6O
Molecular Weight405.30 g/mol
Exact Mass404.10
IUPAC NameN'-[5-amino-6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]-2-bromobenzohydrazide
SMILESCC1CCCCN1c1ncnc(NNC(=O)c2ccccc2Br)c1N
InChIInChI=1S/C17H21BrN6O/c1-11-6-4-5-9-24(11)16-14(19)15(20-10-21-16)22-23-17(25)12-7-2-3-8-13(12)18/h2-3,7-8,10-11H,4-6,9,19H2,1H3,(H,23,25)(H,20,21,22)
InChIKeyZANIAXRSKIJCPZ-UHFFFAOYSA-N
XLogP2.96
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.30
LogP ≤ 52.96
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-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-2-bromobenzohydrazide
CID 19138617
N'-[5-amino-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-4-yl]-2-bromobenzohydrazide
CID 19140675
N'-[5-amino-6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-2-bromobenzohydrazide
CID 19139319
N'-(5-amino-6-piperidin-1-ylpyrimidin-4-yl)-2-chlorobenzohydrazide
CID 19137533
N'-[5-amino-6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]pyridine-4-carbohydrazide
CID 19140515
N'-[5-amino-6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-4-fluorobenzohydrazide
CID 19140506
N'-(5-amino-6-propan-2-yloxypyrimidin-4-yl)-2-bromobenzohydrazide
CID 19151380
4-N-(2-methylphenyl)-6-(2-methylpiperidin-1-yl)pyrimidine-4,5-diamine
CID 19140137
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-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-2-bromobenzohydrazide
CID 19151417
4-N-(furan-2-ylmethyl)-6-(2-methylpiperidin-1-yl)pyrimidine-4,5-diamine
CID 19140123

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]-2-bromobenzohydrazide?
The IUPAC name of N'-[5-amino-6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]-2-bromobenzohydrazide (CID 19140174) is N'-[5-amino-6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]-2-bromobenzohydrazide.
What is the SMILES notation for N'-[5-amino-6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]-2-bromobenzohydrazide?
The canonical SMILES for N'-[5-amino-6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]-2-bromobenzohydrazide is CC1CCCCN1c1ncnc(NNC(=O)c2ccccc2Br)c1N.
What is the InChIKey of N'-[5-amino-6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]-2-bromobenzohydrazide?
The InChIKey is ZANIAXRSKIJCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN6O/c1-11-6-4-5-9-24(11)16-14(19)15(20-10-21-16)22-23-17(25)12-7-2-3-8-13(12)18/h2-3,7-8,10-11H,4-6,9,19H2,1H3,(H,23,25)(H,20,21,22).
What are the key properties of N'-[5-amino-6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]-2-bromobenzohydrazide?
N'-[5-amino-6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]-2-bromobenzohydrazide has a molecular weight of 405.30 g/mol, XLogP of 2.96, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]-2-bromobenzohydrazide is sourced from PubChem (CID 19140174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).