N'-[5-amino-6-(4-butylanilino)pyrimidin-4-yl]-2-phenylacetohydrazide

C22H26N6O — CID 22540106

IUPACN'-[5-amino-6-(4-butylanilino)pyrimidin-4-yl]-2-phenylacetohydrazide
SMILESCCCCc1ccc(Nc2ncnc(NNC(=O)Cc3ccccc3)c2N)cc1
InChIInChI=1S/C22H26N6O/c1-2-3-7-16-10-12-18(13-11-16)26-21-20(23)22(25-15-24-21)28-27-19(29)14-17-8-5-4-6-9-17/h4-6,8-13,15H,2-3,7,14,23H2,1H3,(H,27,29)(H2,24,25,26,28)
InChIKeyZWZSIZMXPUAALH-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.83
Rot. Bonds9

About N'-[5-amino-6-(4-butylanilino)pyrimidin-4-yl]-2-phenylacetohydrazide

N'-[5-amino-6-(4-butylanilino)pyrimidin-4-yl]-2-phenylacetohydrazide (PubChem CID 22540106) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is N'-[5-amino-6-(4-butylanilino)pyrimidin-4-yl]-2-phenylacetohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(4-butylanilino)pyrimidin-4-yl]-2-phenylacetohydrazide
PubChem CID22540106
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC NameN'-[5-amino-6-(4-butylanilino)pyrimidin-4-yl]-2-phenylacetohydrazide
SMILESCCCCc1ccc(Nc2ncnc(NNC(=O)Cc3ccccc3)c2N)cc1
InChIInChI=1S/C22H26N6O/c1-2-3-7-16-10-12-18(13-11-16)26-21-20(23)22(25-15-24-21)28-27-19(29)14-17-8-5-4-6-9-17/h4-6,8-13,15H,2-3,7,14,23H2,1H3,(H,27,29)(H2,24,25,26,28)
InChIKeyZWZSIZMXPUAALH-UHFFFAOYSA-N
XLogP3.83
TPSA104.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.83
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-(4-butylanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 22540107
N'-[6-(4-butylanilino)-5-nitropyrimidin-4-yl]-2-phenylacetohydrazide
CID 23478550
N'-(5-amino-6-anilinopyrimidin-4-yl)-2-phenylacetohydrazide
CID 19147712
N'-(5,6-diaminopyrimidin-4-yl)-2-phenylacetohydrazide
CID 19137179
6-N-butyl-4-N-(4-butylphenyl)pyrimidine-4,5,6-triamine
CID 22539974
6-N-(4-butylphenyl)-4-N-(2-fluorophenyl)pyrimidine-4,5,6-triamine
CID 22540036
6-N-(4-butylphenyl)-4-N-(3-chlorophenyl)pyrimidine-4,5,6-triamine
CID 22540062
N'-[5-amino-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]-2-phenylacetohydrazide
CID 19147596
4-N-(4-butylphenyl)-5-methylpyrimidine-4,6-diamine
CID 80780181
N'-[5-amino-6-(2,5-dichloroanilino)pyrimidin-4-yl]-2-phenylacetohydrazide
CID 19146756
N'-[5-amino-6-[2-(2-phenylacetyl)hydrazinyl]pyrimidin-4-yl]furan-2-carbohydrazide
CID 19152033
6-N-(4-butylphenyl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine
CID 22540135

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(4-butylanilino)pyrimidin-4-yl]-2-phenylacetohydrazide?
The IUPAC name of N'-[5-amino-6-(4-butylanilino)pyrimidin-4-yl]-2-phenylacetohydrazide (CID 22540106) is N'-[5-amino-6-(4-butylanilino)pyrimidin-4-yl]-2-phenylacetohydrazide.
What is the SMILES notation for N'-[5-amino-6-(4-butylanilino)pyrimidin-4-yl]-2-phenylacetohydrazide?
The canonical SMILES for N'-[5-amino-6-(4-butylanilino)pyrimidin-4-yl]-2-phenylacetohydrazide is CCCCc1ccc(Nc2ncnc(NNC(=O)Cc3ccccc3)c2N)cc1.
What is the InChIKey of N'-[5-amino-6-(4-butylanilino)pyrimidin-4-yl]-2-phenylacetohydrazide?
The InChIKey is ZWZSIZMXPUAALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c1-2-3-7-16-10-12-18(13-11-16)26-21-20(23)22(25-15-24-21)28-27-19(29)14-17-8-5-4-6-9-17/h4-6,8-13,15H,2-3,7,14,23H2,1H3,(H,27,29)(H2,24,25,26,28).
What are the key properties of N'-[5-amino-6-(4-butylanilino)pyrimidin-4-yl]-2-phenylacetohydrazide?
N'-[5-amino-6-(4-butylanilino)pyrimidin-4-yl]-2-phenylacetohydrazide has a molecular weight of 390.49 g/mol, XLogP of 3.83, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-(4-butylanilino)pyrimidin-4-yl]-2-phenylacetohydrazide is sourced from PubChem (CID 22540106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).