4-[(4-aminocyclohexyl)methoxy]-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]pyrimidin-2-amine

C16H22F2N6O — CID 165385809

IUPAC4-[(4-aminocyclohexyl)methoxy]-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]pyrimidin-2-amine
SMILESNC1CCC(COc2ccnc(Nc3ccn(CC(F)F)n3)n2)CC1
InChIInChI=1S/C16H22F2N6O/c17-13(18)9-24-8-6-14(23-24)21-16-20-7-5-15(22-16)25-10-11-1-3-12(19)4-2-11/h5-8,11-13H,1-4,9-10,19H2,(H,20,21,22,23)
InChIKeyDMSWGDCPNWMIJJ-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.58
Rot. Bonds7

About 4-[(4-aminocyclohexyl)methoxy]-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]pyrimidin-2-amine

4-[(4-aminocyclohexyl)methoxy]-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]pyrimidin-2-amine (PubChem CID 165385809) has the molecular formula C16H22F2N6O and a molecular weight of 352.39 g/mol. Its IUPAC name is 4-[(4-aminocyclohexyl)methoxy]-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(4-aminocyclohexyl)methoxy]-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]pyrimidin-2-amine
PubChem CID165385809
Molecular FormulaC16H22F2N6O
Molecular Weight352.39 g/mol
Exact Mass352.18
IUPAC Name4-[(4-aminocyclohexyl)methoxy]-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]pyrimidin-2-amine
SMILESNC1CCC(COc2ccnc(Nc3ccn(CC(F)F)n3)n2)CC1
InChIInChI=1S/C16H22F2N6O/c17-13(18)9-24-8-6-14(23-24)21-16-20-7-5-15(22-16)25-10-11-1-3-12(19)4-2-11/h5-8,11-13H,1-4,9-10,19H2,(H,20,21,22,23)
InChIKeyDMSWGDCPNWMIJJ-UHFFFAOYSA-N
XLogP2.58
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminocyclohexyl)methoxy]-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-[(4-aminocyclohexyl)methoxy]-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]pyrimidin-2-amine (CID 165385809) is 4-[(4-aminocyclohexyl)methoxy]-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[(4-aminocyclohexyl)methoxy]-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[(4-aminocyclohexyl)methoxy]-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]pyrimidin-2-amine is NC1CCC(COc2ccnc(Nc3ccn(CC(F)F)n3)n2)CC1.
What is the InChIKey of 4-[(4-aminocyclohexyl)methoxy]-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]pyrimidin-2-amine?
The InChIKey is DMSWGDCPNWMIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N6O/c17-13(18)9-24-8-6-14(23-24)21-16-20-7-5-15(22-16)25-10-11-1-3-12(19)4-2-11/h5-8,11-13H,1-4,9-10,19H2,(H,20,21,22,23).
What are the key properties of 4-[(4-aminocyclohexyl)methoxy]-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]pyrimidin-2-amine?
4-[(4-aminocyclohexyl)methoxy]-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]pyrimidin-2-amine has a molecular weight of 352.39 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminocyclohexyl)methoxy]-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 165385809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).