N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-N-cyclopropylpyrimidin-4-amine

C18H22BrN5 — CID 171996337

IUPACN-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-N-cyclopropylpyrimidin-4-amine
SMILESCc1cc(Br)cnc1N1CCC(N(c2ccncn2)C2CC2)CC1
InChIInChI=1S/C18H22BrN5/c1-13-10-14(19)11-21-18(13)23-8-5-16(6-9-23)24(15-2-3-15)17-4-7-20-12-22-17/h4,7,10-12,15-16H,2-3,5-6,8-9H2,1H3
InChIKeyHWUCAGJFNWNNJY-UHFFFAOYSA-N
MW388.31 g/mol
LogP3.58
Rot. Bonds4

About N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-N-cyclopropylpyrimidin-4-amine

N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-N-cyclopropylpyrimidin-4-amine (PubChem CID 171996337) has the molecular formula C18H22BrN5 and a molecular weight of 388.31 g/mol. Its IUPAC name is N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-N-cyclopropylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-N-cyclopropylpyrimidin-4-amine
PubChem CID171996337
Molecular FormulaC18H22BrN5
Molecular Weight388.31 g/mol
Exact Mass387.11
IUPAC NameN-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-N-cyclopropylpyrimidin-4-amine
SMILESCc1cc(Br)cnc1N1CCC(N(c2ccncn2)C2CC2)CC1
InChIInChI=1S/C18H22BrN5/c1-13-10-14(19)11-21-18(13)23-8-5-16(6-9-23)24(15-2-3-15)17-4-7-20-12-22-17/h4,7,10-12,15-16H,2-3,5-6,8-9H2,1H3
InChIKeyHWUCAGJFNWNNJY-UHFFFAOYSA-N
XLogP3.58
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.31
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-N-cyclopropylpyrimidin-4-amine?
The IUPAC name of N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-N-cyclopropylpyrimidin-4-amine (CID 171996337) is N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-N-cyclopropylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-N-cyclopropylpyrimidin-4-amine?
The canonical SMILES for N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-N-cyclopropylpyrimidin-4-amine is Cc1cc(Br)cnc1N1CCC(N(c2ccncn2)C2CC2)CC1.
What is the InChIKey of N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-N-cyclopropylpyrimidin-4-amine?
The InChIKey is HWUCAGJFNWNNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN5/c1-13-10-14(19)11-21-18(13)23-8-5-16(6-9-23)24(15-2-3-15)17-4-7-20-12-22-17/h4,7,10-12,15-16H,2-3,5-6,8-9H2,1H3.
What are the key properties of N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-N-cyclopropylpyrimidin-4-amine?
N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-N-cyclopropylpyrimidin-4-amine has a molecular weight of 388.31 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-N-cyclopropylpyrimidin-4-amine is sourced from PubChem (CID 171996337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).