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

C20H29BrN4O2 — CID 11856529

IUPAC3-[[5-bromo-2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]amino]adamantan-1-ol
SMILESOC1CCC(Nc2ncc(Br)c(NC34CC5CC(CC(O)(C5)C3)C4)n2)CC1
InChIInChI=1S/C20H29BrN4O2/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)
InChIKeyFGYLHONNVFJRIG-UHFFFAOYSA-N
MW437.38 g/mol
LogP3.45
Rot. Bonds4

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

3-[[5-bromo-2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]amino]adamantan-1-ol (PubChem CID 11856529) has the molecular formula C20H29BrN4O2 and a molecular weight of 437.38 g/mol. Its IUPAC name is 3-[[5-bromo-2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]amino]adamantan-1-ol.

Molecular Properties

Compound Name3-[[5-bromo-2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]amino]adamantan-1-ol
PubChem CID11856529
Molecular FormulaC20H29BrN4O2
Molecular Weight437.38 g/mol
Exact Mass436.15
IUPAC Name3-[[5-bromo-2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]amino]adamantan-1-ol
SMILESOC1CCC(Nc2ncc(Br)c(NC34CC5CC(CC(O)(C5)C3)C4)n2)CC1
InChIInChI=1S/C20H29BrN4O2/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)
InChIKeyFGYLHONNVFJRIG-UHFFFAOYSA-N
XLogP3.45
TPSA90.30 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.38
LogP ≤ 53.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

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Related Compounds

3-[[5-fluoro-2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]amino]adamantan-1-ol
CID 11856528
4-(1-bicyclo[1.1.1]pentanylamino)-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 70982438
4-(1-bicyclo[1.1.1]pentanylamino)-2-[(4-cyclopropyloxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71238025
5-bromo-2-(cyclopropylamino)pyrimidine-4-carboxylic acid
CID 83844239
4-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 80931720
3-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]adamantan-1-ol
CID 137337000
4-(5H-pyrrolo[3,2-d]pyrimidin-2-ylamino)cyclohexan-1-ol
CID 170573052
5-bromo-4-N-cycloheptyl-2-N-methylpyrimidine-2,4-diamine
CID 80771027
2-[(4-hydroxycyclohexyl)amino]-4-[[(1R,3S)-3-methylcycloheptyl]amino]pyrimidine-5-carbonitrile
CID 163447423
5-bromo-N-cyclohexyl-4-methylpyrimidin-2-amine
CID 115050366
4-[(3-ethylcyclobutyl)amino]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71244293
trans-(1S,2S)-2-[[5-bromo-4-(methylamino)pyrimidin-2-yl]amino]cyclopentan-1-ol
CID 99857879

Frequently Asked Questions

What is the IUPAC name of 3-[[5-bromo-2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]amino]adamantan-1-ol?
The IUPAC name of 3-[[5-bromo-2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]amino]adamantan-1-ol (CID 11856529) is 3-[[5-bromo-2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]amino]adamantan-1-ol.
What is the SMILES notation for 3-[[5-bromo-2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]amino]adamantan-1-ol?
The canonical SMILES for 3-[[5-bromo-2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]amino]adamantan-1-ol is OC1CCC(Nc2ncc(Br)c(NC34CC5CC(CC(O)(C5)C3)C4)n2)CC1.
What is the InChIKey of 3-[[5-bromo-2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]amino]adamantan-1-ol?
The InChIKey is FGYLHONNVFJRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29BrN4O2/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-bromo-2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]amino]adamantan-1-ol?
3-[[5-bromo-2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]amino]adamantan-1-ol has a molecular weight of 437.38 g/mol, XLogP of 3.45, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-bromo-2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]amino]adamantan-1-ol is sourced from PubChem (CID 11856529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).