5-bromo-2-N-(2-methoxy-2-methylpropyl)-4-N-methylpyrimidine-2,4-diamine

C10H17BrN4O — CID 91661718

IUPAC5-bromo-2-N-(2-methoxy-2-methylpropyl)-4-N-methylpyrimidine-2,4-diamine
SMILESCNc1nc(NCC(C)(C)OC)ncc1Br
InChIInChI=1S/C10H17BrN4O/c1-10(2,16-4)6-14-9-13-5-7(11)8(12-3)15-9/h5H,6H2,1-4H3,(H2,12,13,14,15)
InChIKeyGLVNHLJRGQUGCW-UHFFFAOYSA-N
MW289.18 g/mol
LogP2.12
Rot. Bonds5

About 5-bromo-2-N-(2-methoxy-2-methylpropyl)-4-N-methylpyrimidine-2,4-diamine

5-bromo-2-N-(2-methoxy-2-methylpropyl)-4-N-methylpyrimidine-2,4-diamine (PubChem CID 91661718) has the molecular formula C10H17BrN4O and a molecular weight of 289.18 g/mol. Its IUPAC name is 5-bromo-2-N-(2-methoxy-2-methylpropyl)-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-2-N-(2-methoxy-2-methylpropyl)-4-N-methylpyrimidine-2,4-diamine
PubChem CID91661718
Molecular FormulaC10H17BrN4O
Molecular Weight289.18 g/mol
Exact Mass288.06
IUPAC Name5-bromo-2-N-(2-methoxy-2-methylpropyl)-4-N-methylpyrimidine-2,4-diamine
SMILESCNc1nc(NCC(C)(C)OC)ncc1Br
InChIInChI=1S/C10H17BrN4O/c1-10(2,16-4)6-14-9-13-5-7(11)8(12-3)15-9/h5H,6H2,1-4H3,(H2,12,13,14,15)
InChIKeyGLVNHLJRGQUGCW-UHFFFAOYSA-N
XLogP2.12
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.18
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N-(2-methoxy-2-methylpropyl)-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-2-N-(2-methoxy-2-methylpropyl)-4-N-methylpyrimidine-2,4-diamine (CID 91661718) is 5-bromo-2-N-(2-methoxy-2-methylpropyl)-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-2-N-(2-methoxy-2-methylpropyl)-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-2-N-(2-methoxy-2-methylpropyl)-4-N-methylpyrimidine-2,4-diamine is CNc1nc(NCC(C)(C)OC)ncc1Br.
What is the InChIKey of 5-bromo-2-N-(2-methoxy-2-methylpropyl)-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is GLVNHLJRGQUGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN4O/c1-10(2,16-4)6-14-9-13-5-7(11)8(12-3)15-9/h5H,6H2,1-4H3,(H2,12,13,14,15).
What are the key properties of 5-bromo-2-N-(2-methoxy-2-methylpropyl)-4-N-methylpyrimidine-2,4-diamine?
5-bromo-2-N-(2-methoxy-2-methylpropyl)-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 289.18 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-N-(2-methoxy-2-methylpropyl)-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 91661718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).