N-[1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidin-3-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine

C18H22BrN5O — CID 171999040

IUPACN-[1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidin-3-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine
SMILESCOc1cc(N(C2CC2)C2CCN(c3ccc(Br)c(C)n3)C2)ncn1
InChIInChI=1S/C18H22BrN5O/c1-12-15(19)5-6-16(22-12)23-8-7-14(10-23)24(13-3-4-13)17-9-18(25-2)21-11-20-17/h5-6,9,11,13-14H,3-4,7-8,10H2,1-2H3
InChIKeyRNGOLWOCTJKUBZ-UHFFFAOYSA-N
MW404.31 g/mol
LogP3.20
Rot. Bonds5

About N-[1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidin-3-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine

N-[1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidin-3-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine (PubChem CID 171999040) has the molecular formula C18H22BrN5O and a molecular weight of 404.31 g/mol. Its IUPAC name is N-[1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidin-3-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidin-3-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine
PubChem CID171999040
Molecular FormulaC18H22BrN5O
Molecular Weight404.31 g/mol
Exact Mass403.10
IUPAC NameN-[1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidin-3-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine
SMILESCOc1cc(N(C2CC2)C2CCN(c3ccc(Br)c(C)n3)C2)ncn1
InChIInChI=1S/C18H22BrN5O/c1-12-15(19)5-6-16(22-12)23-8-7-14(10-23)24(13-3-4-13)17-9-18(25-2)21-11-20-17/h5-6,9,11,13-14H,3-4,7-8,10H2,1-2H3
InChIKeyRNGOLWOCTJKUBZ-UHFFFAOYSA-N
XLogP3.20
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.31
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(3-bromo-2-pyridinyl)pyrrolidin-3-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine
CID 171995144
N-cyclopropyl-6-methoxy-N-(1-pyrazin-2-ylpyrrolidin-3-yl)pyrimidin-4-amine
CID 171705072
N-cyclopropyl-6-methoxy-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126891328
N-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine
CID 171326942
2-[3-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]pyrrolidin-1-yl]-6-fluorobenzonitrile
CID 171997713
N-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine
CID 126891163
N-cyclopropyl-6-methoxy-N-piperidin-4-ylpyrimidin-4-amine
CID 126851874
N-cyclopropyl-N-(1-furo[2,3-d]pyridazin-7-ylpiperidin-4-yl)-6-methoxypyrimidin-4-amine
CID 126891315
N-cyclopropyl-6-methoxy-N-[1-(6-pyrazol-1-ylpyrazin-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126891335
N-[1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidin-3-yl]-N,4-dimethylpyrimidin-2-amine
CID 171995684
N-cyclopropyl-N-[1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-4-yl]-6-methoxypyrimidin-4-amine
CID 126891189
N-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine
CID 126891211

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidin-3-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine?
The IUPAC name of N-[1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidin-3-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine (CID 171999040) is N-[1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidin-3-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine.
What is the SMILES notation for N-[1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidin-3-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine?
The canonical SMILES for N-[1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidin-3-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine is COc1cc(N(C2CC2)C2CCN(c3ccc(Br)c(C)n3)C2)ncn1.
What is the InChIKey of N-[1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidin-3-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine?
The InChIKey is RNGOLWOCTJKUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN5O/c1-12-15(19)5-6-16(22-12)23-8-7-14(10-23)24(13-3-4-13)17-9-18(25-2)21-11-20-17/h5-6,9,11,13-14H,3-4,7-8,10H2,1-2H3.
What are the key properties of N-[1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidin-3-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine?
N-[1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidin-3-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine has a molecular weight of 404.31 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidin-3-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine is sourced from PubChem (CID 171999040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).