4-[[5-amino-4-[(3,3-difluorocyclobutyl)amino]pyrimidin-2-yl]amino]cyclohexan-1-ol

C14H21F2N5O — CID 71244399

IUPAC4-[[5-amino-4-[(3,3-difluorocyclobutyl)amino]pyrimidin-2-yl]amino]cyclohexan-1-ol
SMILESNc1cnc(NC2CCC(O)CC2)nc1NC1CC(F)(F)C1
InChIInChI=1S/C14H21F2N5O/c15-14(16)5-9(6-14)19-12-11(17)7-18-13(21-12)20-8-1-3-10(22)4-2-8/h7-10,22H,1-6,17H2,(H2,18,19,20,21)
InChIKeyJSXNKDPPLLEMPA-UHFFFAOYSA-N
MW313.35 g/mol
LogP1.98
Rot. Bonds4

About 4-[[5-amino-4-[(3,3-difluorocyclobutyl)amino]pyrimidin-2-yl]amino]cyclohexan-1-ol

4-[[5-amino-4-[(3,3-difluorocyclobutyl)amino]pyrimidin-2-yl]amino]cyclohexan-1-ol (PubChem CID 71244399) has the molecular formula C14H21F2N5O and a molecular weight of 313.35 g/mol. Its IUPAC name is 4-[[5-amino-4-[(3,3-difluorocyclobutyl)amino]pyrimidin-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[5-amino-4-[(3,3-difluorocyclobutyl)amino]pyrimidin-2-yl]amino]cyclohexan-1-ol
PubChem CID71244399
Molecular FormulaC14H21F2N5O
Molecular Weight313.35 g/mol
Exact Mass313.17
IUPAC Name4-[[5-amino-4-[(3,3-difluorocyclobutyl)amino]pyrimidin-2-yl]amino]cyclohexan-1-ol
SMILESNc1cnc(NC2CCC(O)CC2)nc1NC1CC(F)(F)C1
InChIInChI=1S/C14H21F2N5O/c15-14(16)5-9(6-14)19-12-11(17)7-18-13(21-12)20-8-1-3-10(22)4-2-8/h7-10,22H,1-6,17H2,(H2,18,19,20,21)
InChIKeyJSXNKDPPLLEMPA-UHFFFAOYSA-N
XLogP1.98
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 51.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-[[5-amino-4-[(3,3-difluorocyclobutyl)amino]pyrimidin-2-yl]amino]cyclohexan-1-ol with MolForge

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Related Compounds

4-[[2-(Butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 72793604
4-[[2-[(4-Hydroxycyclohexyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 11856531
4-[2-(Cyclobutylamino)-8-[(2,6-difluorocyclohexa-1,3-dien-1-yl)amino]-7,8-dihydropurin-9-yl]cyclohexan-1-ol
CID 71159274
4-[(3,3-Difluorocyclobutyl)amino]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carbonitrile
CID 71237627
4-[[5-Bromo-2-(2,2-difluorobutylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 134164002
4-[[5-Bromo-2-[2-(difluoromethoxy)ethylamino]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 137379948
trans-(1R,3R)-3-[[2-[[4-(difluoromethoxy)cyclohexyl]amino]pyrimidin-4-yl]amino]cycloheptan-1-ol
CID 141409544
3-[8-[(2-Fluorocyclohexyl)amino]-2-[(4-hydroxycyclohexyl)amino]-7,8-dihydropurin-9-yl]propanenitrile
CID 143572760
4-[[5-bromo-2-[[(2S)-2-fluorobutyl]amino]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 170437862
4-[[5-Bromo-2-(2-fluorobutylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 170437865
4-[[2-Amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 175349950
4-((5-Fluoropyrimidin-2-yl)amino)cyclohexanol
CID 60137710

Frequently Asked Questions

What is the IUPAC name of 4-[[5-amino-4-[(3,3-difluorocyclobutyl)amino]pyrimidin-2-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[5-amino-4-[(3,3-difluorocyclobutyl)amino]pyrimidin-2-yl]amino]cyclohexan-1-ol (CID 71244399) is 4-[[5-amino-4-[(3,3-difluorocyclobutyl)amino]pyrimidin-2-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[5-amino-4-[(3,3-difluorocyclobutyl)amino]pyrimidin-2-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[5-amino-4-[(3,3-difluorocyclobutyl)amino]pyrimidin-2-yl]amino]cyclohexan-1-ol is Nc1cnc(NC2CCC(O)CC2)nc1NC1CC(F)(F)C1.
What is the InChIKey of 4-[[5-amino-4-[(3,3-difluorocyclobutyl)amino]pyrimidin-2-yl]amino]cyclohexan-1-ol?
The InChIKey is JSXNKDPPLLEMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N5O/c15-14(16)5-9(6-14)19-12-11(17)7-18-13(21-12)20-8-1-3-10(22)4-2-8/h7-10,22H,1-6,17H2,(H2,18,19,20,21).
What are the key properties of 4-[[5-amino-4-[(3,3-difluorocyclobutyl)amino]pyrimidin-2-yl]amino]cyclohexan-1-ol?
4-[[5-amino-4-[(3,3-difluorocyclobutyl)amino]pyrimidin-2-yl]amino]cyclohexan-1-ol has a molecular weight of 313.35 g/mol, XLogP of 1.98, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-amino-4-[(3,3-difluorocyclobutyl)amino]pyrimidin-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 71244399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).