3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol

C11H14ClF2N3O — CID 106178807

IUPAC3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
SMILESCc1c(Cl)nc(C2CC2)nc1NCC(F)(F)CO
InChIInChI=1S/C11H14ClF2N3O/c1-6-8(12)16-10(7-2-3-7)17-9(6)15-4-11(13,14)5-18/h7,18H,2-5H2,1H3,(H,15,16,17)
InChIKeyIRVDGAVDAAQTLN-UHFFFAOYSA-N
MW277.70 g/mol
LogP2.36
Rot. Bonds5

About 3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol

3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol (PubChem CID 106178807) has the molecular formula C11H14ClF2N3O and a molecular weight of 277.70 g/mol. Its IUPAC name is 3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
PubChem CID106178807
Molecular FormulaC11H14ClF2N3O
Molecular Weight277.70 g/mol
Exact Mass277.08
IUPAC Name3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
SMILESCc1c(Cl)nc(C2CC2)nc1NCC(F)(F)CO
InChIInChI=1S/C11H14ClF2N3O/c1-6-8(12)16-10(7-2-3-7)17-9(6)15-4-11(13,14)5-18/h7,18H,2-5H2,1H3,(H,15,16,17)
InChIKeyIRVDGAVDAAQTLN-UHFFFAOYSA-N
XLogP2.36
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.70
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol (CID 106178807) is 3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol is Cc1c(Cl)nc(C2CC2)nc1NCC(F)(F)CO.
What is the InChIKey of 3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol?
The InChIKey is IRVDGAVDAAQTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF2N3O/c1-6-8(12)16-10(7-2-3-7)17-9(6)15-4-11(13,14)5-18/h7,18H,2-5H2,1H3,(H,15,16,17).
What are the key properties of 3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol?
3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol has a molecular weight of 277.70 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 106178807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).