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

C14H16Cl2N6O — CID 19135671

IUPACN'-[5-amino-6-(propan-2-ylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
SMILESCC(C)Nc1ncnc(NNC(=O)c2ccc(Cl)cc2Cl)c1N
InChIInChI=1S/C14H16Cl2N6O/c1-7(2)20-12-11(17)13(19-6-18-12)21-22-14(23)9-4-3-8(15)5-10(9)16/h3-7H,17H2,1-2H3,(H,22,23)(H2,18,19,20,21)
InChIKeySMNIQXPVVGHVMF-UHFFFAOYSA-N
MW355.23 g/mol
LogP2.94
Rot. Bonds5

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

N'-[5-amino-6-(propan-2-ylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide (PubChem CID 19135671) has the molecular formula C14H16Cl2N6O and a molecular weight of 355.23 g/mol. Its IUPAC name is N'-[5-amino-6-(propan-2-ylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(propan-2-ylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
PubChem CID19135671
Molecular FormulaC14H16Cl2N6O
Molecular Weight355.23 g/mol
Exact Mass354.08
IUPAC NameN'-[5-amino-6-(propan-2-ylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
SMILESCC(C)Nc1ncnc(NNC(=O)c2ccc(Cl)cc2Cl)c1N
InChIInChI=1S/C14H16Cl2N6O/c1-7(2)20-12-11(17)13(19-6-18-12)21-22-14(23)9-4-3-8(15)5-10(9)16/h3-7H,17H2,1-2H3,(H,22,23)(H2,18,19,20,21)
InChIKeySMNIQXPVVGHVMF-UHFFFAOYSA-N
XLogP2.94
TPSA104.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 52.94
H-Bond Donors ≤ 54
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]-2,4-dichlorobenzohydrazide
CID 19151719
N'-[5-amino-6-(4-propan-2-ylanilino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 19134693
N'-[5-amino-6-(propylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 19135477
N'-[5-amino-6-[2-(2,2-diphenylacetyl)hydrazinyl]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 19151677
N'-[5-amino-6-(4-ethylanilino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 22544373
N'-[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 22539627
N'-[5-amino-6-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 22545648
N'-[5-amino-6-(propan-2-ylamino)pyrimidin-4-yl]pyridine-2-carbohydrazide
CID 19135675
ethyl 4-[[5-amino-6-[2-(2,4-dichlorobenzoyl)hydrazinyl]pyrimidin-4-yl]amino]benzoate
CID 19146373
N'-[5-amino-6-(2-ethoxyanilino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 19151724
N'-[5-amino-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 22543062
N'-[5-amino-6-[2-(cyclohexen-1-yl)ethylamino]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 19143643

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(propan-2-ylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide?
The IUPAC name of N'-[5-amino-6-(propan-2-ylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide (CID 19135671) is N'-[5-amino-6-(propan-2-ylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide.
What is the SMILES notation for N'-[5-amino-6-(propan-2-ylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide?
The canonical SMILES for N'-[5-amino-6-(propan-2-ylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide is CC(C)Nc1ncnc(NNC(=O)c2ccc(Cl)cc2Cl)c1N.
What is the InChIKey of N'-[5-amino-6-(propan-2-ylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide?
The InChIKey is SMNIQXPVVGHVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N6O/c1-7(2)20-12-11(17)13(19-6-18-12)21-22-14(23)9-4-3-8(15)5-10(9)16/h3-7H,17H2,1-2H3,(H,22,23)(H2,18,19,20,21).
What are the key properties of N'-[5-amino-6-(propan-2-ylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide?
N'-[5-amino-6-(propan-2-ylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide has a molecular weight of 355.23 g/mol, XLogP of 2.94, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-(propan-2-ylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide is sourced from PubChem (CID 19135671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).