1-[(4-amino-6-bromopyrimidin-2-yl)-methylamino]propan-2-ol

C8H13BrN4O — CID 116796778

IUPAC1-[(4-amino-6-bromopyrimidin-2-yl)-methylamino]propan-2-ol
SMILESCC(O)CN(C)c1nc(N)cc(Br)n1
InChIInChI=1S/C8H13BrN4O/c1-5(14)4-13(2)8-11-6(9)3-7(10)12-8/h3,5,14H,4H2,1-2H3,(H2,10,11,12)
InChIKeyDFCQUATXNHIXAV-UHFFFAOYSA-N
MW261.12 g/mol
LogP0.64
Rot. Bonds3

About 1-[(4-amino-6-bromopyrimidin-2-yl)-methylamino]propan-2-ol

1-[(4-amino-6-bromopyrimidin-2-yl)-methylamino]propan-2-ol (PubChem CID 116796778) has the molecular formula C8H13BrN4O and a molecular weight of 261.12 g/mol. Its IUPAC name is 1-[(4-amino-6-bromopyrimidin-2-yl)-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(4-amino-6-bromopyrimidin-2-yl)-methylamino]propan-2-ol
PubChem CID116796778
Molecular FormulaC8H13BrN4O
Molecular Weight261.12 g/mol
Exact Mass260.03
IUPAC Name1-[(4-amino-6-bromopyrimidin-2-yl)-methylamino]propan-2-ol
SMILESCC(O)CN(C)c1nc(N)cc(Br)n1
InChIInChI=1S/C8H13BrN4O/c1-5(14)4-13(2)8-11-6(9)3-7(10)12-8/h3,5,14H,4H2,1-2H3,(H2,10,11,12)
InChIKeyDFCQUATXNHIXAV-UHFFFAOYSA-N
XLogP0.64
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.12
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-2-N-ethyl-2-N-methylpyrimidine-2,4-diamine
CID 116796401
6-bromo-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 116796338
6-bromo-2-N-methyl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 116796487
6-bromo-2-N-(cyclopropylmethyl)-2-N-methylpyrimidine-2,4-diamine
CID 116796497
2-N-benzyl-6-bromo-2-N-methylpyrimidine-2,4-diamine
CID 116796269
4-[[(4-amino-6-bromopyrimidin-2-yl)-methylamino]methyl]oxan-4-ol
CID 114953948
6-bromo-2-N-cyclobutyl-2-N-methylpyrimidine-2,4-diamine
CID 116797489
6-bromo-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine
CID 116796517
1-[(4-amino-6-bromopyrimidin-2-yl)amino]propan-2-ol
CID 116795491
1-[(5-aminopyrazin-2-yl)-methylamino]propan-2-ol
CID 80652394
4-[(4-amino-6-bromopyrimidin-2-yl)amino]butan-2-ol
CID 116796030
6-bromo-2-N-(4,4-dimethylcyclohexyl)-2-N-methylpyrimidine-2,4-diamine
CID 116797087

Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-6-bromopyrimidin-2-yl)-methylamino]propan-2-ol?
The IUPAC name of 1-[(4-amino-6-bromopyrimidin-2-yl)-methylamino]propan-2-ol (CID 116796778) is 1-[(4-amino-6-bromopyrimidin-2-yl)-methylamino]propan-2-ol.
What is the SMILES notation for 1-[(4-amino-6-bromopyrimidin-2-yl)-methylamino]propan-2-ol?
The canonical SMILES for 1-[(4-amino-6-bromopyrimidin-2-yl)-methylamino]propan-2-ol is CC(O)CN(C)c1nc(N)cc(Br)n1.
What is the InChIKey of 1-[(4-amino-6-bromopyrimidin-2-yl)-methylamino]propan-2-ol?
The InChIKey is DFCQUATXNHIXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN4O/c1-5(14)4-13(2)8-11-6(9)3-7(10)12-8/h3,5,14H,4H2,1-2H3,(H2,10,11,12).
What are the key properties of 1-[(4-amino-6-bromopyrimidin-2-yl)-methylamino]propan-2-ol?
1-[(4-amino-6-bromopyrimidin-2-yl)-methylamino]propan-2-ol has a molecular weight of 261.12 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-6-bromopyrimidin-2-yl)-methylamino]propan-2-ol is sourced from PubChem (CID 116796778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).