N'-[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]-3-chlorobenzohydrazide

C18H24ClN7O — CID 19151567

IUPACN'-[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]-3-chlorobenzohydrazide
SMILESCN1CCC(N(C)c2ncnc(NNC(=O)c3cccc(Cl)c3)c2N)CC1
InChIInChI=1S/C18H24ClN7O/c1-25-8-6-14(7-9-25)26(2)17-15(20)16(21-11-22-17)23-24-18(27)12-4-3-5-13(19)10-12/h3-5,10-11,14H,6-9,20H2,1-2H3,(H,24,27)(H,21,22,23)
InChIKeyWKTMBDOEEZPGOH-UHFFFAOYSA-N
MW389.89 g/mol
LogP2.00
Rot. Bonds5

About N'-[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]-3-chlorobenzohydrazide

N'-[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]-3-chlorobenzohydrazide (PubChem CID 19151567) has the molecular formula C18H24ClN7O and a molecular weight of 389.89 g/mol. Its IUPAC name is N'-[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]-3-chlorobenzohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]-3-chlorobenzohydrazide
PubChem CID19151567
Molecular FormulaC18H24ClN7O
Molecular Weight389.89 g/mol
Exact Mass389.17
IUPAC NameN'-[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]-3-chlorobenzohydrazide
SMILESCN1CCC(N(C)c2ncnc(NNC(=O)c3cccc(Cl)c3)c2N)CC1
InChIInChI=1S/C18H24ClN7O/c1-25-8-6-14(7-9-25)26(2)17-15(20)16(21-11-22-17)23-24-18(27)12-4-3-5-13(19)10-12/h3-5,10-11,14H,6-9,20H2,1-2H3,(H,24,27)(H,21,22,23)
InChIKeyWKTMBDOEEZPGOH-UHFFFAOYSA-N
XLogP2.00
TPSA99.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.89
LogP ≤ 52.00
H-Bond Donors ≤ 53
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-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]pyridine-4-carbohydrazide
CID 19151861
N'-[5-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19138262
N'-[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]naphthalene-1-carbohydrazide
CID 19151642
N'-[5-amino-6-[butyl(methyl)amino]pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19139837
N'-[5-amino-6-(2-benzoylhydrazinyl)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19150628
N'-[5-amino-6-(cyclopentylamino)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19151564
1-[3-[[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]amino]phenyl]ethanone
CID 22547538
N'-[5-amino-6-(ethylamino)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19135280
N'-[5-amino-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19139147
N'-[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 22541026
N'-[5-amino-6-(5-chloro-2,4-dimethoxyanilino)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19151549
N'-[5-amino-6-[(2-chloro-3-pyridinyl)amino]pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19151582

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]-3-chlorobenzohydrazide?
The IUPAC name of N'-[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]-3-chlorobenzohydrazide (CID 19151567) is N'-[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]-3-chlorobenzohydrazide.
What is the SMILES notation for N'-[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]-3-chlorobenzohydrazide?
The canonical SMILES for N'-[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]-3-chlorobenzohydrazide is CN1CCC(N(C)c2ncnc(NNC(=O)c3cccc(Cl)c3)c2N)CC1.
What is the InChIKey of N'-[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]-3-chlorobenzohydrazide?
The InChIKey is WKTMBDOEEZPGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN7O/c1-25-8-6-14(7-9-25)26(2)17-15(20)16(21-11-22-17)23-24-18(27)12-4-3-5-13(19)10-12/h3-5,10-11,14H,6-9,20H2,1-2H3,(H,24,27)(H,21,22,23).
What are the key properties of N'-[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]-3-chlorobenzohydrazide?
N'-[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]-3-chlorobenzohydrazide has a molecular weight of 389.89 g/mol, XLogP of 2.00, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]-3-chlorobenzohydrazide is sourced from PubChem (CID 19151567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).