N'-[5-amino-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide

C15H18Cl2N6O2 — CID 19151719

IUPACN'-[5-amino-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
SMILESCOCC(C)Nc1ncnc(NNC(=O)c2ccc(Cl)cc2Cl)c1N
InChIInChI=1S/C15H18Cl2N6O2/c1-8(6-25-2)21-13-12(18)14(20-7-19-13)22-23-15(24)10-4-3-9(16)5-11(10)17/h3-5,7-8H,6,18H2,1-2H3,(H,23,24)(H2,19,20,21,22)
InChIKeyNLDQSEZYMFVQTE-UHFFFAOYSA-N
MW385.26 g/mol
LogP2.57
Rot. Bonds7

About N'-[5-amino-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide

N'-[5-amino-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide (PubChem CID 19151719) has the molecular formula C15H18Cl2N6O2 and a molecular weight of 385.26 g/mol. Its IUPAC name is N'-[5-amino-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
PubChem CID19151719
Molecular FormulaC15H18Cl2N6O2
Molecular Weight385.26 g/mol
Exact Mass384.09
IUPAC NameN'-[5-amino-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
SMILESCOCC(C)Nc1ncnc(NNC(=O)c2ccc(Cl)cc2Cl)c1N
InChIInChI=1S/C15H18Cl2N6O2/c1-8(6-25-2)21-13-12(18)14(20-7-19-13)22-23-15(24)10-4-3-9(16)5-11(10)17/h3-5,7-8H,6,18H2,1-2H3,(H,23,24)(H2,19,20,21,22)
InChIKeyNLDQSEZYMFVQTE-UHFFFAOYSA-N
XLogP2.57
TPSA114.19 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.26
LogP ≤ 52.57
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

N'-[5-amino-6-(propan-2-ylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 19135671
N'-[5-amino-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-2-bromobenzohydrazide
CID 19151417
N'-[5-amino-6-(propylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 19135477
N'-[5-amino-6-(4-propan-2-ylanilino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 19134693
N'-[5-amino-6-(4-ethylanilino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 22544373
N'-[5-amino-6-[2-(2,2-diphenylacetyl)hydrazinyl]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 19151677
N'-[5-amino-6-(2-ethoxyanilino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 19151724
ethyl 4-[[5-amino-6-[2-(2,4-dichlorobenzoyl)hydrazinyl]pyrimidin-4-yl]amino]benzoate
CID 19146373
4-N,6-N-bis(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine
CID 19154117
N'-[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 22539627
6-N-(5-chloro-2-methylphenyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine
CID 22547340
N'-[5-amino-6-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 22545648

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide?
The IUPAC name of N'-[5-amino-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide (CID 19151719) is N'-[5-amino-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide.
What is the SMILES notation for N'-[5-amino-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide?
The canonical SMILES for N'-[5-amino-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide is COCC(C)Nc1ncnc(NNC(=O)c2ccc(Cl)cc2Cl)c1N.
What is the InChIKey of N'-[5-amino-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide?
The InChIKey is NLDQSEZYMFVQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N6O2/c1-8(6-25-2)21-13-12(18)14(20-7-19-13)22-23-15(24)10-4-3-9(16)5-11(10)17/h3-5,7-8H,6,18H2,1-2H3,(H,23,24)(H2,19,20,21,22).
What are the key properties of N'-[5-amino-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide?
N'-[5-amino-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide has a molecular weight of 385.26 g/mol, XLogP of 2.57, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide is sourced from PubChem (CID 19151719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).