4-[[(4-amino-6-bromopyrimidin-2-yl)-methylamino]methyl]oxan-4-ol

C11H17BrN4O2 — CID 114953948

IUPAC4-[[(4-amino-6-bromopyrimidin-2-yl)-methylamino]methyl]oxan-4-ol
SMILESCN(CC1(O)CCOCC1)c1nc(N)cc(Br)n1
InChIInChI=1S/C11H17BrN4O2/c1-16(7-11(17)2-4-18-5-3-11)10-14-8(12)6-9(13)15-10/h6,17H,2-5,7H2,1H3,(H2,13,14,15)
InChIKeyDELGHCYPDRBJDQ-UHFFFAOYSA-N
MW317.19 g/mol
LogP0.80
Rot. Bonds3

About 4-[[(4-amino-6-bromopyrimidin-2-yl)-methylamino]methyl]oxan-4-ol

4-[[(4-amino-6-bromopyrimidin-2-yl)-methylamino]methyl]oxan-4-ol (PubChem CID 114953948) has the molecular formula C11H17BrN4O2 and a molecular weight of 317.19 g/mol. Its IUPAC name is 4-[[(4-amino-6-bromopyrimidin-2-yl)-methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(4-amino-6-bromopyrimidin-2-yl)-methylamino]methyl]oxan-4-ol
PubChem CID114953948
Molecular FormulaC11H17BrN4O2
Molecular Weight317.19 g/mol
Exact Mass316.05
IUPAC Name4-[[(4-amino-6-bromopyrimidin-2-yl)-methylamino]methyl]oxan-4-ol
SMILESCN(CC1(O)CCOCC1)c1nc(N)cc(Br)n1
InChIInChI=1S/C11H17BrN4O2/c1-16(7-11(17)2-4-18-5-3-11)10-14-8(12)6-9(13)15-10/h6,17H,2-5,7H2,1H3,(H2,13,14,15)
InChIKeyDELGHCYPDRBJDQ-UHFFFAOYSA-N
XLogP0.80
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[(4-amino-6-bromopyrimidin-2-yl)-methylamino]methyl]oxan-4-ol with MolForge

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Related Compounds

4-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)-methylamino]methyl]oxan-4-ol
CID 114954159
4-[[(6-bromopyrimidin-4-yl)-methylamino]methyl]oxan-4-ol
CID 114951092
6-bromo-2-N-ethyl-2-N-methylpyrimidine-2,4-diamine
CID 116796401
4-[[(6-amino-3,5-dichloro-2-pyridinyl)-methylamino]methyl]oxan-4-ol
CID 102760185
4-[[(5-amino-4-methyl-2-pyridinyl)-methylamino]methyl]oxan-4-ol
CID 114947689
1-[(4-amino-6-bromopyrimidin-2-yl)-methylamino]propan-2-ol
CID 116796778
4-[[(5-amino-1,3-thiazol-2-yl)-methylamino]methyl]oxan-4-ol
CID 102769156
6-bromo-2-N-(cyclopropylmethyl)-2-N-methylpyrimidine-2,4-diamine
CID 116796497
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
4-[[(6-amino-2,5-dimethylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol
CID 114954173
4-[(3-amino-N,2-dimethylanilino)methyl]oxan-4-ol
CID 114947739

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-amino-6-bromopyrimidin-2-yl)-methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(4-amino-6-bromopyrimidin-2-yl)-methylamino]methyl]oxan-4-ol (CID 114953948) is 4-[[(4-amino-6-bromopyrimidin-2-yl)-methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(4-amino-6-bromopyrimidin-2-yl)-methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(4-amino-6-bromopyrimidin-2-yl)-methylamino]methyl]oxan-4-ol is CN(CC1(O)CCOCC1)c1nc(N)cc(Br)n1.
What is the InChIKey of 4-[[(4-amino-6-bromopyrimidin-2-yl)-methylamino]methyl]oxan-4-ol?
The InChIKey is DELGHCYPDRBJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O2/c1-16(7-11(17)2-4-18-5-3-11)10-14-8(12)6-9(13)15-10/h6,17H,2-5,7H2,1H3,(H2,13,14,15).
What are the key properties of 4-[[(4-amino-6-bromopyrimidin-2-yl)-methylamino]methyl]oxan-4-ol?
4-[[(4-amino-6-bromopyrimidin-2-yl)-methylamino]methyl]oxan-4-ol has a molecular weight of 317.19 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-amino-6-bromopyrimidin-2-yl)-methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 114953948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).