1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine

C18H21N7O — CID 2883795

IUPAC1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine
SMILESCc1cc(C)nc(N=C(N)Nc2c(C)n(C)n(-c3ccccc3)c2=O)n1
InChIInChI=1S/C18H21N7O/c1-11-10-12(2)21-18(20-11)23-17(19)22-15-13(3)24(4)25(16(15)26)14-8-6-5-7-9-14/h5-10H,1-4H3,(H3,19,20,21,22,23)
InChIKeyVKYWLQVXPUGWBP-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.95
Rot. Bonds3

About 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine

1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine (PubChem CID 2883795) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine.

Molecular Properties

Compound Name1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine
PubChem CID2883795
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC Name1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine
SMILESCc1cc(C)nc(N=C(N)Nc2c(C)n(C)n(-c3ccccc3)c2=O)n1
InChIInChI=1S/C18H21N7O/c1-11-10-12(2)21-18(20-11)23-17(19)22-15-13(3)24(4)25(16(15)26)14-8-6-5-7-9-14/h5-10H,1-4H3,(H3,19,20,21,22,23)
InChIKeyVKYWLQVXPUGWBP-UHFFFAOYSA-N
XLogP1.95
TPSA103.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4,6-Dimethyl-pyrimidin-2-ylamino)-phenyl]-acetamide
CID 734481
2-(4,6-Dimethyl-pyrimidin-2-ylamino)-3-p-tolyl-3,5-dihydro-imidazol-4-one
CID 915125
N-[4-(diethylamino)phenyl]-2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]acetamide
CID 3240772
N-{4-[N'-(4,6-dimethylpyrimidin-2-yl)carbamimidamido]phenyl}propanamide
CID 9600790
2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-phenyl-4H-imidazol-5-one
CID 658477
2-(4,6-Dimethyl-pyrimidin-2-ylamino)-3-m-tolyl-3,5-dihydro-imidazol-4-one
CID 915367
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-{[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide
CID 1147475
methyl (2Z)-{2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-oxo-1-phenyl-1,5-dihydro-4H-imidazol-4-ylidene}ethanoate
CID 135486326
2-(N-(4,6-dimethylpyrimidin-2-yl)cyanamido)-N-isopropyl-N-phenylacetamide
CID 657676
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide
CID 2368077
2-[Cyano-(4,6-dimethyl-pyrimidin-2-yl)-amino]-N-phenyl-acetamide
CID 650125
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-pyrimidin-2-ylsulfanylacetamide
CID 2355231

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine?
The IUPAC name of 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine (CID 2883795) is 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine.
What is the SMILES notation for 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine?
The canonical SMILES for 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine is Cc1cc(C)nc(N=C(N)Nc2c(C)n(C)n(-c3ccccc3)c2=O)n1.
What is the InChIKey of 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine?
The InChIKey is VKYWLQVXPUGWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O/c1-11-10-12(2)21-18(20-11)23-17(19)22-15-13(3)24(4)25(16(15)26)14-8-6-5-7-9-14/h5-10H,1-4H3,(H3,19,20,21,22,23).
What are the key properties of 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine?
1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine has a molecular weight of 351.41 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine is sourced from PubChem (CID 2883795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).