2-cyclopropyl-4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyrimidin-6-one

C10H13F2N3O2 — CID 136849690

IUPAC2-cyclopropyl-4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyrimidin-6-one
SMILESO=c1cc(NCC(F)(F)CO)nc(C2CC2)[nH]1
InChIInChI=1S/C10H13F2N3O2/c11-10(12,5-16)4-13-7-3-8(17)15-9(14-7)6-1-2-6/h3,6,16H,1-2,4-5H2,(H2,13,14,15,17)
InChIKeyDRFGDNQVEBFTMG-UHFFFAOYSA-N
MW245.23 g/mol
LogP0.69
Rot. Bonds5

About 2-cyclopropyl-4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyrimidin-6-one

2-cyclopropyl-4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyrimidin-6-one (PubChem CID 136849690) has the molecular formula C10H13F2N3O2 and a molecular weight of 245.23 g/mol. Its IUPAC name is 2-cyclopropyl-4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyrimidin-6-one
PubChem CID136849690
Molecular FormulaC10H13F2N3O2
Molecular Weight245.23 g/mol
Exact Mass245.10
IUPAC Name2-cyclopropyl-4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyrimidin-6-one
SMILESO=c1cc(NCC(F)(F)CO)nc(C2CC2)[nH]1
InChIInChI=1S/C10H13F2N3O2/c11-10(12,5-16)4-13-7-3-8(17)15-9(14-7)6-1-2-6/h3,6,16H,1-2,4-5H2,(H2,13,14,15,17)
InChIKeyDRFGDNQVEBFTMG-UHFFFAOYSA-N
XLogP0.69
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136737796
4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136737803
2-cyclopropyl-4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 136737806
2-cyclopropyl-4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 136786691
2-cyclopropyl-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-1H-pyrimidin-6-one
CID 136790773
2-propan-2-yl-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-1H-pyrimidin-6-one
CID 136790779
4-[(3,3-difluoro-2-hydroxypropyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136790790
2-cyclopropyl-4-(2,2,3,3-tetrafluoropropylamino)-1H-pyrimidin-6-one
CID 136819409
4-[(2,2-difluoro-3-hydroxypropyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136849684
4-[(2,2-difluoro-3-hydroxypropyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136849685
4-[(2,2-difluoro-3-hydroxypropyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136849686
2-cyclopropyl-4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one
CID 136932118

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyrimidin-6-one (CID 136849690) is 2-cyclopropyl-4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyrimidin-6-one is O=c1cc(NCC(F)(F)CO)nc(C2CC2)[nH]1.
What is the InChIKey of 2-cyclopropyl-4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyrimidin-6-one?
The InChIKey is DRFGDNQVEBFTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O2/c11-10(12,5-16)4-13-7-3-8(17)15-9(14-7)6-1-2-6/h3,6,16H,1-2,4-5H2,(H2,13,14,15,17).
What are the key properties of 2-cyclopropyl-4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyrimidin-6-one has a molecular weight of 245.23 g/mol, XLogP of 0.69, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136849690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).