3-[[5-fluoro-2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]amino]adamantan-1-ol

C20H29FN4O2 — CID 11856528

IUPAC3-[[5-fluoro-2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]amino]adamantan-1-ol
SMILESOC1CCC(Nc2ncc(F)c(NC34CC5CC(CC(O)(C5)C3)C4)n2)CC1
InChIInChI=1S/C20H29FN4O2/c21-16-10-22-18(23-14-1-3-15(26)4-2-14)24-17(16)25-19-6-12-5-13(7-19)9-20(27,8-12)11-19/h10,12-15,26-27H,1-9,11H2,(H2,22,23,24,25)
InChIKeyIJBCBNGKYORYDI-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.83
Rot. Bonds4

About 3-[[5-fluoro-2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]amino]adamantan-1-ol

3-[[5-fluoro-2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]amino]adamantan-1-ol (PubChem CID 11856528) has the molecular formula C20H29FN4O2 and a molecular weight of 376.48 g/mol. Its IUPAC name is 3-[[5-fluoro-2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]amino]adamantan-1-ol.

Molecular Properties

Compound Name3-[[5-fluoro-2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]amino]adamantan-1-ol
PubChem CID11856528
Molecular FormulaC20H29FN4O2
Molecular Weight376.48 g/mol
Exact Mass376.23
IUPAC Name3-[[5-fluoro-2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]amino]adamantan-1-ol
SMILESOC1CCC(Nc2ncc(F)c(NC34CC5CC(CC(O)(C5)C3)C4)n2)CC1
InChIInChI=1S/C20H29FN4O2/c21-16-10-22-18(23-14-1-3-15(26)4-2-14)24-17(16)25-19-6-12-5-13(7-19)9-20(27,8-12)11-19/h10,12-15,26-27H,1-9,11H2,(H2,22,23,24,25)
InChIKeyIJBCBNGKYORYDI-UHFFFAOYSA-N
XLogP2.83
TPSA90.30 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 3-[[5-fluoro-2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]amino]adamantan-1-ol with MolForge

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Related Compounds

3-[[2-[(4-Hydroxycyclohexyl)amino]-5-nitropyrimidin-4-yl]amino]adamantan-1-ol
CID 11856271
3-[[2-[(4-Hydroxycyclohexyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]adamantan-1-ol
CID 11856273
3-[[5-Bromo-2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]amino]adamantan-1-ol
CID 11856529
3-[[5-Chloro-2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]amino]adamantan-1-ol
CID 11856530
3-[(2-Piperidin-1-ylpyrimidin-5-yl)methylamino]adamantan-1-ol
CID 145981495
3-[[4-[(4-Hydroxycyclohexyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]adamantan-1-ol
CID 11856272
3-[(2-Chloro-5-fluoropyrimidin-4-yl)amino]adamantan-1-ol
CID 87894538
3-[[2-Chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]adamantan-1-ol
CID 91049794
(1R,2R,5R)-5-[[2-(tert-butylamino)-5-fluoropyrimidin-4-yl]amino]-2-methylcyclohexan-1-ol
CID 156235996
3-[1-[(5-Fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]adamantan-1-ol
CID 134711360
3-[(5-Bromo-2-chloropyrimidin-4-yl)amino]adamantan-1-ol
CID 87894541
3-[(2,5-Dichloropyrimidin-4-yl)amino]adamantan-1-ol
CID 87894583

Frequently Asked Questions

What is the IUPAC name of 3-[[5-fluoro-2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]amino]adamantan-1-ol?
The IUPAC name of 3-[[5-fluoro-2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]amino]adamantan-1-ol (CID 11856528) is 3-[[5-fluoro-2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]amino]adamantan-1-ol.
What is the SMILES notation for 3-[[5-fluoro-2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]amino]adamantan-1-ol?
The canonical SMILES for 3-[[5-fluoro-2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]amino]adamantan-1-ol is OC1CCC(Nc2ncc(F)c(NC34CC5CC(CC(O)(C5)C3)C4)n2)CC1.
What is the InChIKey of 3-[[5-fluoro-2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]amino]adamantan-1-ol?
The InChIKey is IJBCBNGKYORYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN4O2/c21-16-10-22-18(23-14-1-3-15(26)4-2-14)24-17(16)25-19-6-12-5-13(7-19)9-20(27,8-12)11-19/h10,12-15,26-27H,1-9,11H2,(H2,22,23,24,25).
What are the key properties of 3-[[5-fluoro-2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]amino]adamantan-1-ol?
3-[[5-fluoro-2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]amino]adamantan-1-ol has a molecular weight of 376.48 g/mol, XLogP of 2.83, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-fluoro-2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]amino]adamantan-1-ol is sourced from PubChem (CID 11856528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).