6-(3,3-difluoropyrrolidin-1-yl)-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidine-4,5-diamine

C11H14F5N5O — CID 123837717

IUPAC6-(3,3-difluoropyrrolidin-1-yl)-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidine-4,5-diamine
SMILESCC(Oc1nc(N)c(N)c(N2CCC(F)(F)C2)n1)C(F)(F)F
InChIInChI=1S/C11H14F5N5O/c1-5(11(14,15)16)22-9-19-7(18)6(17)8(20-9)21-3-2-10(12,13)4-21/h5H,2-4,17H2,1H3,(H2,18,19,20)
InChIKeyMGOGASRTMUTICF-UHFFFAOYSA-N
MW327.26 g/mol
LogP1.82
Rot. Bonds3

About 6-(3,3-difluoropyrrolidin-1-yl)-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidine-4,5-diamine

6-(3,3-difluoropyrrolidin-1-yl)-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidine-4,5-diamine (PubChem CID 123837717) has the molecular formula C11H14F5N5O and a molecular weight of 327.26 g/mol. Its IUPAC name is 6-(3,3-difluoropyrrolidin-1-yl)-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(3,3-difluoropyrrolidin-1-yl)-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidine-4,5-diamine
PubChem CID123837717
Molecular FormulaC11H14F5N5O
Molecular Weight327.26 g/mol
Exact Mass327.11
IUPAC Name6-(3,3-difluoropyrrolidin-1-yl)-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidine-4,5-diamine
SMILESCC(Oc1nc(N)c(N)c(N2CCC(F)(F)C2)n1)C(F)(F)F
InChIInChI=1S/C11H14F5N5O/c1-5(11(14,15)16)22-9-19-7(18)6(17)8(20-9)21-3-2-10(12,13)4-21/h5H,2-4,17H2,1H3,(H2,18,19,20)
InChIKeyMGOGASRTMUTICF-UHFFFAOYSA-N
XLogP1.82
TPSA90.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.26
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(3,3-difluoropyrrolidin-1-yl)-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidine-4,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(3,3-difluoropyrrolidin-1-yl)-2-(1,1,1-trifluoropropan-2-yloxy)-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,5-diamine
CID 123166527
2-N-tert-butyl-6-(3,3-difluoropyrrolidin-1-yl)pyrimidine-2,4,5-triamine
CID 123378867
1-[5,6-Diamino-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]pyrrolidin-3-ol
CID 123566217
1-[6-Amino-5-diazenyl-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]pyrrolidin-3-ol
CID 123566565
[1-(5,6-Diamino-2-propan-2-yloxypyrimidin-4-yl)pyrrolidin-3-yl] 2,2,2-trifluoroacetate
CID 123823155
6-(3,3-Difluoropyrrolidin-1-yl)-2-(2,2-dimethylpropoxy)pyrimidine-4,5-diamine
CID 123913275
(NZ)-N-[1-[[5-amino-6-(3,3-difluoropyrrolidin-1-yl)-2-(2,2-dimethylpropoxy)pyrimidin-4-yl]amino]-3-iminobutan-2-ylidene]hydroxylamine
CID 137380999
[(3S)-1-(5,6-diamino-2-propan-2-yloxypyrimidin-4-yl)pyrrolidin-3-yl] 2,2,2-trifluoroacetate
CID 137381056
6-(3,3-difluoropyrrolidin-1-yl)-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyrimidine-4,5-diamine
CID 137381110
6-(3,3-difluoropyrrolidin-1-yl)-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,5-diamine
CID 137381114
N-[(3S)-1-[5,6-diamino-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyrimidin-4-yl]pyrrolidin-3-yl]acetamide
CID 137381123
(NZ)-N-[1-[[5-amino-6-(3,3-difluoropyrrolidin-1-yl)-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyrimidin-4-yl]amino]-3-iminobutan-2-ylidene]hydroxylamine
CID 137381204

Frequently Asked Questions

What is the IUPAC name of 6-(3,3-difluoropyrrolidin-1-yl)-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidine-4,5-diamine?
The IUPAC name of 6-(3,3-difluoropyrrolidin-1-yl)-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidine-4,5-diamine (CID 123837717) is 6-(3,3-difluoropyrrolidin-1-yl)-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-(3,3-difluoropyrrolidin-1-yl)-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidine-4,5-diamine?
The canonical SMILES for 6-(3,3-difluoropyrrolidin-1-yl)-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidine-4,5-diamine is CC(Oc1nc(N)c(N)c(N2CCC(F)(F)C2)n1)C(F)(F)F.
What is the InChIKey of 6-(3,3-difluoropyrrolidin-1-yl)-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidine-4,5-diamine?
The InChIKey is MGOGASRTMUTICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F5N5O/c1-5(11(14,15)16)22-9-19-7(18)6(17)8(20-9)21-3-2-10(12,13)4-21/h5H,2-4,17H2,1H3,(H2,18,19,20).
What are the key properties of 6-(3,3-difluoropyrrolidin-1-yl)-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidine-4,5-diamine?
6-(3,3-difluoropyrrolidin-1-yl)-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidine-4,5-diamine has a molecular weight of 327.26 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-difluoropyrrolidin-1-yl)-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidine-4,5-diamine is sourced from PubChem (CID 123837717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).