5-bromo-N-propyl-4-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-amine

C10H13BrF3N3O — CID 80877380

IUPAC5-bromo-N-propyl-4-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-amine
SMILESCCCNc1ncc(Br)c(OC(C)C(F)(F)F)n1
InChIInChI=1S/C10H13BrF3N3O/c1-3-4-15-9-16-5-7(11)8(17-9)18-6(2)10(12,13)14/h5-6H,3-4H2,1-2H3,(H,15,16,17)
InChIKeyWCUQRXAXKCCRII-UHFFFAOYSA-N
MW328.13 g/mol
LogP3.39
Rot. Bonds5

About 5-bromo-N-propyl-4-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-amine

5-bromo-N-propyl-4-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-amine (PubChem CID 80877380) has the molecular formula C10H13BrF3N3O and a molecular weight of 328.13 g/mol. Its IUPAC name is 5-bromo-N-propyl-4-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-propyl-4-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-amine
PubChem CID80877380
Molecular FormulaC10H13BrF3N3O
Molecular Weight328.13 g/mol
Exact Mass327.02
IUPAC Name5-bromo-N-propyl-4-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-amine
SMILESCCCNc1ncc(Br)c(OC(C)C(F)(F)F)n1
InChIInChI=1S/C10H13BrF3N3O/c1-3-4-15-9-16-5-7(11)8(17-9)18-6(2)10(12,13)14/h5-6H,3-4H2,1-2H3,(H,15,16,17)
InChIKeyWCUQRXAXKCCRII-UHFFFAOYSA-N
XLogP3.39
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.13
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Bromo-2,4-bis(1,1-dimethylethoxy)pyrimidine
CID 818851
2-Amino-5-bromo-4-methoxypyrimidine
CID 45036937
5-Bromo-2-chloro-4-(propan-2-yloxy)pyrimidine
CID 79076021
5-Bromo-4-cyclobutoxypyrimidin-2-amine
CID 80872179
2-Methoxy-4-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine
CID 140282354
2-[(2-Methylpropan-2-yl)oxy]-4-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine
CID 140282357
2-Propan-2-yloxy-4-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine
CID 140282358
5-Bromo-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
CID 60155907
2-Methoxy-4-ethoxy-5-fluoropyrimidine
CID 129785473
5-Bromo-4-(2,2-difluoroethoxy)-2-methylpyrimidine
CID 130644863
5-Bromo-2-methyl-4-(2,2,2-trifluoroethoxy)pyrimidine
CID 131139115
5-Bromo-2-methyl-4-(2,2,3,3,3-pentafluoropropoxy)pyrimidine
CID 176432380

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-propyl-4-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-propyl-4-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-amine (CID 80877380) is 5-bromo-N-propyl-4-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-propyl-4-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-propyl-4-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-amine is CCCNc1ncc(Br)c(OC(C)C(F)(F)F)n1.
What is the InChIKey of 5-bromo-N-propyl-4-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-amine?
The InChIKey is WCUQRXAXKCCRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrF3N3O/c1-3-4-15-9-16-5-7(11)8(17-9)18-6(2)10(12,13)14/h5-6H,3-4H2,1-2H3,(H,15,16,17).
What are the key properties of 5-bromo-N-propyl-4-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-amine?
5-bromo-N-propyl-4-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-amine has a molecular weight of 328.13 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-propyl-4-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-amine is sourced from PubChem (CID 80877380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).