N-[4-(1-bromopyrazol-4-yl)phenyl]-2-chlorofuro[3,2-d]pyrimidin-4-amine

C15H9BrClN5O — CID 167337421

IUPACN-[4-(1-bromopyrazol-4-yl)phenyl]-2-chlorofuro[3,2-d]pyrimidin-4-amine
SMILESClc1nc(Nc2ccc(-c3cnn(Br)c3)cc2)c2occc2n1
InChIInChI=1S/C15H9BrClN5O/c16-22-8-10(7-18-22)9-1-3-11(4-2-9)19-14-13-12(5-6-23-13)20-15(17)21-14/h1-8H,(H,19,20,21)
InChIKeyRLAVNJWHQXALIW-UHFFFAOYSA-N
MW390.63 g/mol
LogP4.64
Rot. Bonds3

About N-[4-(1-bromopyrazol-4-yl)phenyl]-2-chlorofuro[3,2-d]pyrimidin-4-amine

N-[4-(1-bromopyrazol-4-yl)phenyl]-2-chlorofuro[3,2-d]pyrimidin-4-amine (PubChem CID 167337421) has the molecular formula C15H9BrClN5O and a molecular weight of 390.63 g/mol. Its IUPAC name is N-[4-(1-bromopyrazol-4-yl)phenyl]-2-chlorofuro[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[4-(1-bromopyrazol-4-yl)phenyl]-2-chlorofuro[3,2-d]pyrimidin-4-amine
PubChem CID167337421
Molecular FormulaC15H9BrClN5O
Molecular Weight390.63 g/mol
Exact Mass388.97
IUPAC NameN-[4-(1-bromopyrazol-4-yl)phenyl]-2-chlorofuro[3,2-d]pyrimidin-4-amine
SMILESClc1nc(Nc2ccc(-c3cnn(Br)c3)cc2)c2occc2n1
InChIInChI=1S/C15H9BrClN5O/c16-22-8-10(7-18-22)9-1-3-11(4-2-9)19-14-13-12(5-6-23-13)20-15(17)21-14/h1-8H,(H,19,20,21)
InChIKeyRLAVNJWHQXALIW-UHFFFAOYSA-N
XLogP4.64
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.63
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 4-[4-[(2-chloropyrimidin-4-yl)amino]phenyl]pyrazole-1-carboxylate;tert-butyl 4-[4-[(2-methylfuro[3,2-d]pyrimidin-4-yl)amino]phenyl]pyrazole-1-carboxylate
CID 159958548
2-chloro-N-(1H-isoindol-5-yl)furo[3,2-d]pyrimidin-4-amine
CID 157282792
2-chloro-N-[4-(1-methylpyrazol-4-yl)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 170116956
2-chloro-N-(2,2-difluoroethyl)furo[3,2-d]pyrimidin-4-amine
CID 86665115
2-chloro-N-(1-phenylimidazol-4-yl)furo[3,2-d]pyrimidin-4-amine;ethane
CID 142498170
2-chloro-N-cyclobutylfuro[3,2-d]pyrimidin-4-amine
CID 87562610
2-(2-methyl-1H-indol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]furo[3,2-d]pyrimidin-4-amine
CID 166920681
2-chloro-4-phenylfuro[3,2-d]pyrimidine
CID 118682597
2-chloro-N-(4-chlorophenyl)quinazolin-4-amine
CID 22692704
1-[2-chloro-4-[4-(1-iodopyrazol-4-yl)anilino]-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]ethanone
CID 145220280
tert-butyl 4-[4-[(2-chloro-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)amino]phenyl]pyrazole-1-carboxylate
CID 139474960
4-[(2-chloroquinazolin-4-yl)amino]phenol
CID 22692945

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-bromopyrazol-4-yl)phenyl]-2-chlorofuro[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[4-(1-bromopyrazol-4-yl)phenyl]-2-chlorofuro[3,2-d]pyrimidin-4-amine (CID 167337421) is N-[4-(1-bromopyrazol-4-yl)phenyl]-2-chlorofuro[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[4-(1-bromopyrazol-4-yl)phenyl]-2-chlorofuro[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[4-(1-bromopyrazol-4-yl)phenyl]-2-chlorofuro[3,2-d]pyrimidin-4-amine is Clc1nc(Nc2ccc(-c3cnn(Br)c3)cc2)c2occc2n1.
What is the InChIKey of N-[4-(1-bromopyrazol-4-yl)phenyl]-2-chlorofuro[3,2-d]pyrimidin-4-amine?
The InChIKey is RLAVNJWHQXALIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrClN5O/c16-22-8-10(7-18-22)9-1-3-11(4-2-9)19-14-13-12(5-6-23-13)20-15(17)21-14/h1-8H,(H,19,20,21).
What are the key properties of N-[4-(1-bromopyrazol-4-yl)phenyl]-2-chlorofuro[3,2-d]pyrimidin-4-amine?
N-[4-(1-bromopyrazol-4-yl)phenyl]-2-chlorofuro[3,2-d]pyrimidin-4-amine has a molecular weight of 390.63 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-bromopyrazol-4-yl)phenyl]-2-chlorofuro[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 167337421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).