5-bromo-N-[[6-(dimethylamino)-2-pyridinyl]methyl]pyrimidin-2-amine

C12H14BrN5 — CID 122131877

IUPAC5-bromo-N-[[6-(dimethylamino)-2-pyridinyl]methyl]pyrimidin-2-amine
SMILESCN(C)c1cccc(CNc2ncc(Br)cn2)n1
InChIInChI=1S/C12H14BrN5/c1-18(2)11-5-3-4-10(17-11)8-16-12-14-6-9(13)7-15-12/h3-7H,8H2,1-2H3,(H,14,15,16)
InChIKeyKRUBRNMUTAXJIK-UHFFFAOYSA-N
MW308.18 g/mol
LogP2.31
Rot. Bonds4

About 5-bromo-N-[[6-(dimethylamino)-2-pyridinyl]methyl]pyrimidin-2-amine

5-bromo-N-[[6-(dimethylamino)-2-pyridinyl]methyl]pyrimidin-2-amine (PubChem CID 122131877) has the molecular formula C12H14BrN5 and a molecular weight of 308.18 g/mol. Its IUPAC name is 5-bromo-N-[[6-(dimethylamino)-2-pyridinyl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[[6-(dimethylamino)-2-pyridinyl]methyl]pyrimidin-2-amine
PubChem CID122131877
Molecular FormulaC12H14BrN5
Molecular Weight308.18 g/mol
Exact Mass307.04
IUPAC Name5-bromo-N-[[6-(dimethylamino)-2-pyridinyl]methyl]pyrimidin-2-amine
SMILESCN(C)c1cccc(CNc2ncc(Br)cn2)n1
InChIInChI=1S/C12H14BrN5/c1-18(2)11-5-3-4-10(17-11)8-16-12-14-6-9(13)7-15-12/h3-7H,8H2,1-2H3,(H,14,15,16)
InChIKeyKRUBRNMUTAXJIK-UHFFFAOYSA-N
XLogP2.31
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[6-(dimethylamino)-2-pyridinyl]methyl]pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-[[6-(dimethylamino)-2-pyridinyl]methyl]pyrimidin-2-amine (CID 122131877) is 5-bromo-N-[[6-(dimethylamino)-2-pyridinyl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-[[6-(dimethylamino)-2-pyridinyl]methyl]pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-[[6-(dimethylamino)-2-pyridinyl]methyl]pyrimidin-2-amine is CN(C)c1cccc(CNc2ncc(Br)cn2)n1.
What is the InChIKey of 5-bromo-N-[[6-(dimethylamino)-2-pyridinyl]methyl]pyrimidin-2-amine?
The InChIKey is KRUBRNMUTAXJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN5/c1-18(2)11-5-3-4-10(17-11)8-16-12-14-6-9(13)7-15-12/h3-7H,8H2,1-2H3,(H,14,15,16).
What are the key properties of 5-bromo-N-[[6-(dimethylamino)-2-pyridinyl]methyl]pyrimidin-2-amine?
5-bromo-N-[[6-(dimethylamino)-2-pyridinyl]methyl]pyrimidin-2-amine has a molecular weight of 308.18 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[6-(dimethylamino)-2-pyridinyl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 122131877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).