5-bromo-N-[[4-(dimethylamino)oxan-4-yl]methyl]pyrimidin-2-amine

C12H19BrN4O — CID 56790164

IUPAC5-bromo-N-[[4-(dimethylamino)oxan-4-yl]methyl]pyrimidin-2-amine
SMILESCN(C)C1(CNc2ncc(Br)cn2)CCOCC1
InChIInChI=1S/C12H19BrN4O/c1-17(2)12(3-5-18-6-4-12)9-16-11-14-7-10(13)8-15-11/h7-8H,3-6,9H2,1-2H3,(H,14,15,16)
InChIKeyAUWOBMIACWQCQW-UHFFFAOYSA-N
MW315.21 g/mol
LogP1.76
Rot. Bonds4

About 5-bromo-N-[[4-(dimethylamino)oxan-4-yl]methyl]pyrimidin-2-amine

5-bromo-N-[[4-(dimethylamino)oxan-4-yl]methyl]pyrimidin-2-amine (PubChem CID 56790164) has the molecular formula C12H19BrN4O and a molecular weight of 315.21 g/mol. Its IUPAC name is 5-bromo-N-[[4-(dimethylamino)oxan-4-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[[4-(dimethylamino)oxan-4-yl]methyl]pyrimidin-2-amine
PubChem CID56790164
Molecular FormulaC12H19BrN4O
Molecular Weight315.21 g/mol
Exact Mass314.07
IUPAC Name5-bromo-N-[[4-(dimethylamino)oxan-4-yl]methyl]pyrimidin-2-amine
SMILESCN(C)C1(CNc2ncc(Br)cn2)CCOCC1
InChIInChI=1S/C12H19BrN4O/c1-17(2)12(3-5-18-6-4-12)9-16-11-14-7-10(13)8-15-11/h7-8H,3-6,9H2,1-2H3,(H,14,15,16)
InChIKeyAUWOBMIACWQCQW-UHFFFAOYSA-N
XLogP1.76
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[4-(dimethylamino)oxan-4-yl]methyl]pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-[[4-(dimethylamino)oxan-4-yl]methyl]pyrimidin-2-amine (CID 56790164) is 5-bromo-N-[[4-(dimethylamino)oxan-4-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-[[4-(dimethylamino)oxan-4-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-[[4-(dimethylamino)oxan-4-yl]methyl]pyrimidin-2-amine is CN(C)C1(CNc2ncc(Br)cn2)CCOCC1.
What is the InChIKey of 5-bromo-N-[[4-(dimethylamino)oxan-4-yl]methyl]pyrimidin-2-amine?
The InChIKey is AUWOBMIACWQCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN4O/c1-17(2)12(3-5-18-6-4-12)9-16-11-14-7-10(13)8-15-11/h7-8H,3-6,9H2,1-2H3,(H,14,15,16).
What are the key properties of 5-bromo-N-[[4-(dimethylamino)oxan-4-yl]methyl]pyrimidin-2-amine?
5-bromo-N-[[4-(dimethylamino)oxan-4-yl]methyl]pyrimidin-2-amine has a molecular weight of 315.21 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[4-(dimethylamino)oxan-4-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 56790164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).