5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-4-N-propan-2-ylpyrimidine-2,4-diamine

C15H20BrN5O — CID 146860970

IUPAC5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-4-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCC(C)Nc1nc(N)ncc1Oc1cc(Br)ncc1C(C)C
InChIInChI=1S/C15H20BrN5O/c1-8(2)10-6-18-13(16)5-11(10)22-12-7-19-15(17)21-14(12)20-9(3)4/h5-9H,1-4H3,(H3,17,19,20,21)
InChIKeySKQJDJRXLHWOEY-UHFFFAOYSA-N
MW366.26 g/mol
LogP3.95
Rot. Bonds5

About 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-4-N-propan-2-ylpyrimidine-2,4-diamine

5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-4-N-propan-2-ylpyrimidine-2,4-diamine (PubChem CID 146860970) has the molecular formula C15H20BrN5O and a molecular weight of 366.26 g/mol. Its IUPAC name is 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-4-N-propan-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-4-N-propan-2-ylpyrimidine-2,4-diamine
PubChem CID146860970
Molecular FormulaC15H20BrN5O
Molecular Weight366.26 g/mol
Exact Mass365.09
IUPAC Name5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-4-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCC(C)Nc1nc(N)ncc1Oc1cc(Br)ncc1C(C)C
InChIInChI=1S/C15H20BrN5O/c1-8(2)10-6-18-13(16)5-11(10)22-12-7-19-15(17)21-14(12)20-9(3)4/h5-9H,1-4H3,(H3,17,19,20,21)
InChIKeySKQJDJRXLHWOEY-UHFFFAOYSA-N
XLogP3.95
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.26
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-propan-2-yl-6-(3-pyridin-4-ylpropoxy)pyrimidin-4-amine
CID 172437187
5-[5-Propan-2-yl-2-(2,2,2-trifluoroethylamino)pyridin-4-yl]oxypyrimidine-2,4-diamine
CID 147172849
5-[5-Propan-2-yl-2-(trifluoromethyl)pyridin-4-yl]oxypyrimidine-2,4-diamine
CID 148136296
6-isopropyl-N~4~-[3-(pyridin-3-yloxy)propyl]pyrimidine-2,4-diamine
CID 72849048
5-ethyl-4-N-[(2S)-2-pyridin-3-yloxypropyl]pyrimidine-2,4-diamine
CID 97147149
5-[[(5-bromo-4-methoxy-2-pyridinyl)amino]methyl]-N,N-dimethylpyrimidin-2-amine
CID 122134164
5-(2-bromo-5-propan-2-ylpyridin-4-yl)oxy-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 148768043
5-[[2-Fluoro-6-(methylamino)-3-propan-2-yl-4-pyridinyl]oxy]pyrimidine-2,4-diamine
CID 155130494
N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-methyl-5-pyridin-4-yloxypyrimidin-4-amine
CID 169669077
5-[(2-Methyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine
CID 142576027
5-[(2-Ethyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine
CID 142576028
5-[[2-(Aminomethyl)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidine-2,4-diamine
CID 142576029

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-4-N-propan-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-4-N-propan-2-ylpyrimidine-2,4-diamine (CID 146860970) is 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-4-N-propan-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-4-N-propan-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-4-N-propan-2-ylpyrimidine-2,4-diamine is CC(C)Nc1nc(N)ncc1Oc1cc(Br)ncc1C(C)C.
What is the InChIKey of 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-4-N-propan-2-ylpyrimidine-2,4-diamine?
The InChIKey is SKQJDJRXLHWOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN5O/c1-8(2)10-6-18-13(16)5-11(10)22-12-7-19-15(17)21-14(12)20-9(3)4/h5-9H,1-4H3,(H3,17,19,20,21).
What are the key properties of 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-4-N-propan-2-ylpyrimidine-2,4-diamine?
5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-4-N-propan-2-ylpyrimidine-2,4-diamine has a molecular weight of 366.26 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-4-N-propan-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 146860970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).