1-[1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazol-3-yl]propan-1-ol

C17H23F2N5O — CID 139300122

IUPAC1-[1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazol-3-yl]propan-1-ol
SMILESCCC(O)c1ccn(-c2nc(C)cc(NC3CCC(F)(F)CC3)n2)n1
InChIInChI=1S/C17H23F2N5O/c1-3-14(25)13-6-9-24(23-13)16-20-11(2)10-15(22-16)21-12-4-7-17(18,19)8-5-12/h6,9-10,12,14,25H,3-5,7-8H2,1-2H3,(H,20,21,22)
InChIKeyLVEKUMKLNYFZSI-UHFFFAOYSA-N
MW351.40 g/mol
LogP3.40
Rot. Bonds5

About 1-[1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazol-3-yl]propan-1-ol

1-[1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazol-3-yl]propan-1-ol (PubChem CID 139300122) has the molecular formula C17H23F2N5O and a molecular weight of 351.40 g/mol. Its IUPAC name is 1-[1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazol-3-yl]propan-1-ol.

Molecular Properties

Compound Name1-[1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazol-3-yl]propan-1-ol
PubChem CID139300122
Molecular FormulaC17H23F2N5O
Molecular Weight351.40 g/mol
Exact Mass351.19
IUPAC Name1-[1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazol-3-yl]propan-1-ol
SMILESCCC(O)c1ccn(-c2nc(C)cc(NC3CCC(F)(F)CC3)n2)n1
InChIInChI=1S/C17H23F2N5O/c1-3-14(25)13-6-9-24(23-13)16-20-11(2)10-15(22-16)21-12-4-7-17(18,19)8-5-12/h6,9-10,12,14,25H,3-5,7-8H2,1-2H3,(H,20,21,22)
InChIKeyLVEKUMKLNYFZSI-UHFFFAOYSA-N
XLogP3.40
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazol-3-yl]propan-1-ol with MolForge

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Related Compounds

CID 132244707
CID 132244707
CID 132244741
CID 132244741
CID 132206642
CID 132206642
CID 132206651
CID 132206651
CID 132206654
CID 132206654
CID 132206656
CID 132206656
CID 132206657
CID 132206657
CID 132206658
CID 132206658
CID 132206659
CID 132206659
CID 132206712
CID 132206712
CID 132206732
CID 132206732
CID 132206735
CID 132206735

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazol-3-yl]propan-1-ol?
The IUPAC name of 1-[1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazol-3-yl]propan-1-ol (CID 139300122) is 1-[1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazol-3-yl]propan-1-ol.
What is the SMILES notation for 1-[1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazol-3-yl]propan-1-ol?
The canonical SMILES for 1-[1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazol-3-yl]propan-1-ol is CCC(O)c1ccn(-c2nc(C)cc(NC3CCC(F)(F)CC3)n2)n1.
What is the InChIKey of 1-[1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazol-3-yl]propan-1-ol?
The InChIKey is LVEKUMKLNYFZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N5O/c1-3-14(25)13-6-9-24(23-13)16-20-11(2)10-15(22-16)21-12-4-7-17(18,19)8-5-12/h6,9-10,12,14,25H,3-5,7-8H2,1-2H3,(H,20,21,22).
What are the key properties of 1-[1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazol-3-yl]propan-1-ol?
1-[1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazol-3-yl]propan-1-ol has a molecular weight of 351.40 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazol-3-yl]propan-1-ol is sourced from PubChem (CID 139300122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).