N'-[5-amino-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide

C16H18Cl2N6O2 — CID 22543062

IUPACN'-[5-amino-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
SMILESNc1c(NCC2CCCO2)ncnc1NNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H18Cl2N6O2/c17-9-3-4-11(12(18)6-9)16(25)24-23-15-13(19)14(21-8-22-15)20-7-10-2-1-5-26-10/h3-4,6,8,10H,1-2,5,7,19H2,(H,24,25)(H2,20,21,22,23)
InChIKeyBHIMLPULRCXHCE-UHFFFAOYSA-N
MW397.27 g/mol
LogP2.71
Rot. Bonds6

About N'-[5-amino-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide

N'-[5-amino-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide (PubChem CID 22543062) has the molecular formula C16H18Cl2N6O2 and a molecular weight of 397.27 g/mol. Its IUPAC name is N'-[5-amino-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
PubChem CID22543062
Molecular FormulaC16H18Cl2N6O2
Molecular Weight397.27 g/mol
Exact Mass396.09
IUPAC NameN'-[5-amino-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
SMILESNc1c(NCC2CCCO2)ncnc1NNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H18Cl2N6O2/c17-9-3-4-11(12(18)6-9)16(25)24-23-15-13(19)14(21-8-22-15)20-7-10-2-1-5-26-10/h3-4,6,8,10H,1-2,5,7,19H2,(H,24,25)(H2,20,21,22,23)
InChIKeyBHIMLPULRCXHCE-UHFFFAOYSA-N
XLogP2.71
TPSA114.19 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.27
LogP ≤ 52.71
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

2,4-dichloro-N'-[5-nitro-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]benzohydrazide
CID 23481588
N'-[5-amino-6-(propylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 19135477
N'-[5-amino-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 22543071
6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542939
2-amino-4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 28690163
N'-[5-amino-6-(4-ethylanilino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 22544373
2,4-dichloro-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 40740660
N'-[5-amino-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 19151719
ethyl 4-[[5-amino-6-[2-(2,4-dichlorobenzoyl)hydrazinyl]pyrimidin-4-yl]amino]benzoate
CID 19146373
2-methyl-N'-[5-nitro-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]benzohydrazide
CID 23481574
N-(2,5-dichlorophenyl)-6-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109153607
4-N-(5-chloro-2,4-dimethoxyphenyl)-6-N-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine
CID 22543090

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide?
The IUPAC name of N'-[5-amino-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide (CID 22543062) is N'-[5-amino-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide.
What is the SMILES notation for N'-[5-amino-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide?
The canonical SMILES for N'-[5-amino-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide is Nc1c(NCC2CCCO2)ncnc1NNC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of N'-[5-amino-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide?
The InChIKey is BHIMLPULRCXHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N6O2/c17-9-3-4-11(12(18)6-9)16(25)24-23-15-13(19)14(21-8-22-15)20-7-10-2-1-5-26-10/h3-4,6,8,10H,1-2,5,7,19H2,(H,24,25)(H2,20,21,22,23).
What are the key properties of N'-[5-amino-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide?
N'-[5-amino-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide has a molecular weight of 397.27 g/mol, XLogP of 2.71, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide is sourced from PubChem (CID 22543062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).