4-(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)thiomorpholine

C14H20N4S — CID 56914391

IUPAC4-(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)thiomorpholine
SMILESCc1cc2nc(C(C)C)cc(N3CCSCC3)n2n1
InChIInChI=1S/C14H20N4S/c1-10(2)12-9-14(17-4-6-19-7-5-17)18-13(15-12)8-11(3)16-18/h8-10H,4-7H2,1-3H3
InChIKeyYJSORDTVAMOQCV-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.71
Rot. Bonds2

About 4-(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)thiomorpholine

4-(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)thiomorpholine (PubChem CID 56914391) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 4-(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)thiomorpholine.

Molecular Properties

Compound Name4-(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)thiomorpholine
PubChem CID56914391
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name4-(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)thiomorpholine
SMILESCc1cc2nc(C(C)C)cc(N3CCSCC3)n2n1
InChIInChI=1S/C14H20N4S/c1-10(2)12-9-14(17-4-6-19-7-5-17)18-13(15-12)8-11(3)16-18/h8-10H,4-7H2,1-3H3
InChIKeyYJSORDTVAMOQCV-UHFFFAOYSA-N
XLogP2.71
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-1-(3-methylpiperidin-1-yl)ethanone
CID 4519994
5-isopropyl-N,2-dimethyl-N-[(1-methyl-2-pyrrolidinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56889089
2-Ethyl-3,5,7-trimethylpyrazolo[1,5-a]pyrimidine
CID 4568581
2-tert-butyl-N,N-dimethyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 2821857
5-Ethyl-2-[1-(thian-4-yl)pyrrolidin-2-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 46955752
5-Methyl-2-[1-(thian-4-yl)pyrrolidin-2-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 46955753
1-(5-Isopropyl-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-4-piperidinol
CID 56886305
5-Isopropyl-7-{4-[1-(1-pyrrolidinyl)ethyl]-1-piperidinyl}pyrazolo[1,5-a]pyrimidine
CID 56891319
1-(5-isopropyl-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-N,N-dimethyl-3-pyrrolidinamine
CID 56895115
5-Ethyl-2,3-dimethyl-7-(4-thiomorpholinyl)pyrazolo[1,5-a]pyrimidine
CID 56895401
5-isopropyl-N-[(1-isopropyl-3-pyrrolidinyl)methyl]-N,2-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 56901378
4-(5-Isopropyl-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-1-piperazinesulfonamide
CID 56906558

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)thiomorpholine?
The IUPAC name of 4-(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)thiomorpholine (CID 56914391) is 4-(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)thiomorpholine.
What is the SMILES notation for 4-(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)thiomorpholine?
The canonical SMILES for 4-(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)thiomorpholine is Cc1cc2nc(C(C)C)cc(N3CCSCC3)n2n1.
What is the InChIKey of 4-(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)thiomorpholine?
The InChIKey is YJSORDTVAMOQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-10(2)12-9-14(17-4-6-19-7-5-17)18-13(15-12)8-11(3)16-18/h8-10H,4-7H2,1-3H3.
What are the key properties of 4-(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)thiomorpholine?
4-(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)thiomorpholine has a molecular weight of 276.41 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)thiomorpholine is sourced from PubChem (CID 56914391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).