6-[[4-(difluoromethyl)cyclohexyl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

C12H15F2N5O — CID 154779463

IUPAC6-[[4-(difluoromethyl)cyclohexyl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(NC2CCC(C(F)F)CC2)nc2[nH]ncc12
InChIInChI=1S/C12H15F2N5O/c13-9(14)6-1-3-7(4-2-6)16-12-17-10-8(5-15-19-10)11(20)18-12/h5-7,9H,1-4H2,(H3,15,16,17,18,19,20)
InChIKeySXLDITHZXBUITQ-UHFFFAOYSA-N
MW283.28 g/mol
LogP1.88
Rot. Bonds3

About 6-[[4-(difluoromethyl)cyclohexyl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

6-[[4-(difluoromethyl)cyclohexyl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 154779463) has the molecular formula C12H15F2N5O and a molecular weight of 283.28 g/mol. Its IUPAC name is 6-[[4-(difluoromethyl)cyclohexyl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[[4-(difluoromethyl)cyclohexyl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
PubChem CID154779463
Molecular FormulaC12H15F2N5O
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Name6-[[4-(difluoromethyl)cyclohexyl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(NC2CCC(C(F)F)CC2)nc2[nH]ncc12
InChIInChI=1S/C12H15F2N5O/c13-9(14)6-1-3-7(4-2-6)16-12-17-10-8(5-15-19-10)11(20)18-12/h5-7,9H,1-4H2,(H3,15,16,17,18,19,20)
InChIKeySXLDITHZXBUITQ-UHFFFAOYSA-N
XLogP1.88
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-(difluoromethyl)cyclohexyl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[[4-(difluoromethyl)cyclohexyl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (CID 154779463) is 6-[[4-(difluoromethyl)cyclohexyl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[[4-(difluoromethyl)cyclohexyl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[[4-(difluoromethyl)cyclohexyl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is O=c1[nH]c(NC2CCC(C(F)F)CC2)nc2[nH]ncc12.
What is the InChIKey of 6-[[4-(difluoromethyl)cyclohexyl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is SXLDITHZXBUITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N5O/c13-9(14)6-1-3-7(4-2-6)16-12-17-10-8(5-15-19-10)11(20)18-12/h5-7,9H,1-4H2,(H3,15,16,17,18,19,20).
What are the key properties of 6-[[4-(difluoromethyl)cyclohexyl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
6-[[4-(difluoromethyl)cyclohexyl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 283.28 g/mol, XLogP of 1.88, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(difluoromethyl)cyclohexyl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 154779463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).