N'-[5-amino-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-2-methylbenzohydrazide

C18H25N7O2 — CID 19150929

IUPACN'-[5-amino-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-2-methylbenzohydrazide
SMILESCc1ccccc1C(=O)NNc1ncnc(NCCN2CCOCC2)c1N
InChIInChI=1S/C18H25N7O2/c1-13-4-2-3-5-14(13)18(26)24-23-17-15(19)16(21-12-22-17)20-6-7-25-8-10-27-11-9-25/h2-5,12H,6-11,19H2,1H3,(H,24,26)(H2,20,21,22,23)
InChIKeyPKZFDAXKZDFJQH-UHFFFAOYSA-N
MW371.45 g/mol
LogP0.87
Rot. Bonds7

About N'-[5-amino-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-2-methylbenzohydrazide

N'-[5-amino-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-2-methylbenzohydrazide (PubChem CID 19150929) has the molecular formula C18H25N7O2 and a molecular weight of 371.45 g/mol. Its IUPAC name is N'-[5-amino-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-2-methylbenzohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-2-methylbenzohydrazide
PubChem CID19150929
Molecular FormulaC18H25N7O2
Molecular Weight371.45 g/mol
Exact Mass371.21
IUPAC NameN'-[5-amino-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-2-methylbenzohydrazide
SMILESCc1ccccc1C(=O)NNc1ncnc(NCCN2CCOCC2)c1N
InChIInChI=1S/C18H25N7O2/c1-13-4-2-3-5-14(13)18(26)24-23-17-15(19)16(21-12-22-17)20-6-7-25-8-10-27-11-9-25/h2-5,12H,6-11,19H2,1H3,(H,24,26)(H2,20,21,22,23)
InChIKeyPKZFDAXKZDFJQH-UHFFFAOYSA-N
XLogP0.87
TPSA117.43 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 50.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[5-amino-6-(butylamino)pyrimidin-4-yl]-2-methylbenzohydrazide
CID 19134881
N'-[5-amino-6-(3-methylbutylamino)pyrimidin-4-yl]-2-methylbenzohydrazide
CID 19150908
2-methyl-N'-[5-nitro-6-(2-piperidin-1-ylethylamino)pyrimidin-4-yl]benzohydrazide
CID 22526079
N'-[5-amino-6-(prop-2-enylamino)pyrimidin-4-yl]-2-methylbenzohydrazide
CID 19136045
N'-[5-amino-6-(2-piperidin-1-ylethylamino)pyrimidin-4-yl]furan-2-carbohydrazide
CID 19143794
N'-[5-amino-6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-2-methylbenzohydrazide
CID 19150924
4-N-(4-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine
CID 19148640
ethyl 4-[5-amino-6-[2-(2-methylbenzoyl)hydrazinyl]pyrimidin-4-yl]piperazine-1-carboxylate
CID 19150942
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5-diamine
CID 19153551
2-methyl-N-[2-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide
CID 27241616
N'-[5-amino-6-(3-chloro-4-methylanilino)pyrimidin-4-yl]-2-methylbenzohydrazide
CID 22546673
4-N-(3,5-dimethylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine
CID 22541072

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-2-methylbenzohydrazide?
The IUPAC name of N'-[5-amino-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-2-methylbenzohydrazide (CID 19150929) is N'-[5-amino-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-2-methylbenzohydrazide.
What is the SMILES notation for N'-[5-amino-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-2-methylbenzohydrazide?
The canonical SMILES for N'-[5-amino-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-2-methylbenzohydrazide is Cc1ccccc1C(=O)NNc1ncnc(NCCN2CCOCC2)c1N.
What is the InChIKey of N'-[5-amino-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-2-methylbenzohydrazide?
The InChIKey is PKZFDAXKZDFJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O2/c1-13-4-2-3-5-14(13)18(26)24-23-17-15(19)16(21-12-22-17)20-6-7-25-8-10-27-11-9-25/h2-5,12H,6-11,19H2,1H3,(H,24,26)(H2,20,21,22,23).
What are the key properties of N'-[5-amino-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-2-methylbenzohydrazide?
N'-[5-amino-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-2-methylbenzohydrazide has a molecular weight of 371.45 g/mol, XLogP of 0.87, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-2-methylbenzohydrazide is sourced from PubChem (CID 19150929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).