N-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]-6-methylpyrimidin-4-amine

C15H18BrN5 — CID 171994309

IUPACN-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]-6-methylpyrimidin-4-amine
SMILESCc1cc(NC2CCCN(c3ncccc3Br)C2)ncn1
InChIInChI=1S/C15H18BrN5/c1-11-8-14(19-10-18-11)20-12-4-3-7-21(9-12)15-13(16)5-2-6-17-15/h2,5-6,8,10,12H,3-4,7,9H2,1H3,(H,18,19,20)
InChIKeyKMKDNVHBVSQSTF-UHFFFAOYSA-N
MW348.25 g/mol
LogP3.02
Rot. Bonds3

About N-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]-6-methylpyrimidin-4-amine

N-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]-6-methylpyrimidin-4-amine (PubChem CID 171994309) has the molecular formula C15H18BrN5 and a molecular weight of 348.25 g/mol. Its IUPAC name is N-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]-6-methylpyrimidin-4-amine
PubChem CID171994309
Molecular FormulaC15H18BrN5
Molecular Weight348.25 g/mol
Exact Mass347.07
IUPAC NameN-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]-6-methylpyrimidin-4-amine
SMILESCc1cc(NC2CCCN(c3ncccc3Br)C2)ncn1
InChIInChI=1S/C15H18BrN5/c1-11-8-14(19-10-18-11)20-12-4-3-7-21(9-12)15-13(16)5-2-6-17-15/h2,5-6,8,10,12H,3-4,7,9H2,1H3,(H,18,19,20)
InChIKeyKMKDNVHBVSQSTF-UHFFFAOYSA-N
XLogP3.02
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.25
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]-6-methylpyrimidin-4-amine?
The IUPAC name of N-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]-6-methylpyrimidin-4-amine (CID 171994309) is N-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]-6-methylpyrimidin-4-amine?
The canonical SMILES for N-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]-6-methylpyrimidin-4-amine is Cc1cc(NC2CCCN(c3ncccc3Br)C2)ncn1.
What is the InChIKey of N-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]-6-methylpyrimidin-4-amine?
The InChIKey is KMKDNVHBVSQSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN5/c1-11-8-14(19-10-18-11)20-12-4-3-7-21(9-12)15-13(16)5-2-6-17-15/h2,5-6,8,10,12H,3-4,7,9H2,1H3,(H,18,19,20).
What are the key properties of N-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]-6-methylpyrimidin-4-amine?
N-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]-6-methylpyrimidin-4-amine has a molecular weight of 348.25 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 171994309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).