1-(3,3-dimethyl-1,2-dihydroinden-1-yl)-3-pyrazolo[1,5-a]pyrimidin-3-ylurea

C18H19N5O — CID 166315512

IUPAC1-(3,3-dimethyl-1,2-dihydroinden-1-yl)-3-pyrazolo[1,5-a]pyrimidin-3-ylurea
SMILESCC1(C)CC(NC(=O)Nc2cnn3cccnc23)c2ccccc21
InChIInChI=1S/C18H19N5O/c1-18(2)10-14(12-6-3-4-7-13(12)18)21-17(24)22-15-11-20-23-9-5-8-19-16(15)23/h3-9,11,14H,10H2,1-2H3,(H2,21,22,24)
InChIKeyYEQGIRMUOWKPDI-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.27
Rot. Bonds2

About 1-(3,3-dimethyl-1,2-dihydroinden-1-yl)-3-pyrazolo[1,5-a]pyrimidin-3-ylurea

1-(3,3-dimethyl-1,2-dihydroinden-1-yl)-3-pyrazolo[1,5-a]pyrimidin-3-ylurea (PubChem CID 166315512) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-(3,3-dimethyl-1,2-dihydroinden-1-yl)-3-pyrazolo[1,5-a]pyrimidin-3-ylurea.

Molecular Properties

Compound Name1-(3,3-dimethyl-1,2-dihydroinden-1-yl)-3-pyrazolo[1,5-a]pyrimidin-3-ylurea
PubChem CID166315512
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name1-(3,3-dimethyl-1,2-dihydroinden-1-yl)-3-pyrazolo[1,5-a]pyrimidin-3-ylurea
SMILESCC1(C)CC(NC(=O)Nc2cnn3cccnc23)c2ccccc21
InChIInChI=1S/C18H19N5O/c1-18(2)10-14(12-6-3-4-7-13(12)18)21-17(24)22-15-11-20-23-9-5-8-19-16(15)23/h3-9,11,14H,10H2,1-2H3,(H2,21,22,24)
InChIKeyYEQGIRMUOWKPDI-UHFFFAOYSA-N
XLogP3.27
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(methoxymethyl)cyclobutyl]-3-pyrazolo[1,5-a]pyrimidin-3-ylurea
CID 166315508
(2R)-2-amino-N-(3,3-dimethyl-1,2-dihydroinden-1-yl)propanamide
CID 120873256
4-[(3,3-dimethyl-1,2-dihydroinden-1-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122007144
2-(6-azaspiro[2.5]octan-6-yl)-4-iodo-N-pyrazolo[1,5-a]pyrimidin-3-ylbenzamide
CID 172559550
1-[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-(5-methyl-2-phenyl-3-pyridinyl)urea
CID 137422990
4-ethoxy-N-pyrazolo[1,5-a]pyrimidin-3-yloxane-4-carboxamide
CID 166315563
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-1-methylurea
CID 129392780
N-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414443
N-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 164632448
1-(6-cyano-3,3-dimethyl-1,2-dihydroinden-1-yl)-3-phenylurea
CID 10063698
1-[(3,3-dimethyl-1,2-dihydroinden-1-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123219
7-N-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 172615556

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethyl-1,2-dihydroinden-1-yl)-3-pyrazolo[1,5-a]pyrimidin-3-ylurea?
The IUPAC name of 1-(3,3-dimethyl-1,2-dihydroinden-1-yl)-3-pyrazolo[1,5-a]pyrimidin-3-ylurea (CID 166315512) is 1-(3,3-dimethyl-1,2-dihydroinden-1-yl)-3-pyrazolo[1,5-a]pyrimidin-3-ylurea.
What is the SMILES notation for 1-(3,3-dimethyl-1,2-dihydroinden-1-yl)-3-pyrazolo[1,5-a]pyrimidin-3-ylurea?
The canonical SMILES for 1-(3,3-dimethyl-1,2-dihydroinden-1-yl)-3-pyrazolo[1,5-a]pyrimidin-3-ylurea is CC1(C)CC(NC(=O)Nc2cnn3cccnc23)c2ccccc21.
What is the InChIKey of 1-(3,3-dimethyl-1,2-dihydroinden-1-yl)-3-pyrazolo[1,5-a]pyrimidin-3-ylurea?
The InChIKey is YEQGIRMUOWKPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-18(2)10-14(12-6-3-4-7-13(12)18)21-17(24)22-15-11-20-23-9-5-8-19-16(15)23/h3-9,11,14H,10H2,1-2H3,(H2,21,22,24).
What are the key properties of 1-(3,3-dimethyl-1,2-dihydroinden-1-yl)-3-pyrazolo[1,5-a]pyrimidin-3-ylurea?
1-(3,3-dimethyl-1,2-dihydroinden-1-yl)-3-pyrazolo[1,5-a]pyrimidin-3-ylurea has a molecular weight of 321.38 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethyl-1,2-dihydroinden-1-yl)-3-pyrazolo[1,5-a]pyrimidin-3-ylurea is sourced from PubChem (CID 166315512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).