N-[4-(2-pyrrol-1-ylethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine

C19H17N5OS — CID 44565887

IUPACN-[4-(2-pyrrol-1-ylethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
SMILESc1ccn(CCOc2ccc(Nc3nccc(-c4nccs4)n3)cc2)c1
InChIInChI=1S/C19H17N5OS/c1-2-11-24(10-1)12-13-25-16-5-3-15(4-6-16)22-19-21-8-7-17(23-19)18-20-9-14-26-18/h1-11,14H,12-13H2,(H,21,22,23)
InChIKeyQQMARRRQCNDGAX-UHFFFAOYSA-N
MW363.45 g/mol
LogP4.22
Rot. Bonds7

About N-[4-(2-pyrrol-1-ylethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine

N-[4-(2-pyrrol-1-ylethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine (PubChem CID 44565887) has the molecular formula C19H17N5OS and a molecular weight of 363.45 g/mol. Its IUPAC name is N-[4-(2-pyrrol-1-ylethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-(2-pyrrol-1-ylethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
PubChem CID44565887
Molecular FormulaC19H17N5OS
Molecular Weight363.45 g/mol
Exact Mass363.12
IUPAC NameN-[4-(2-pyrrol-1-ylethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
SMILESc1ccn(CCOc2ccc(Nc3nccc(-c4nccs4)n3)cc2)c1
InChIInChI=1S/C19H17N5OS/c1-2-11-24(10-1)12-13-25-16-5-3-15(4-6-16)22-19-21-8-7-17(23-19)18-20-9-14-26-18/h1-11,14H,12-13H2,(H,21,22,23)
InChIKeyQQMARRRQCNDGAX-UHFFFAOYSA-N
XLogP4.22
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-pyrrol-1-ylethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
The IUPAC name of N-[4-(2-pyrrol-1-ylethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine (CID 44565887) is N-[4-(2-pyrrol-1-ylethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[4-(2-pyrrol-1-ylethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
The canonical SMILES for N-[4-(2-pyrrol-1-ylethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine is c1ccn(CCOc2ccc(Nc3nccc(-c4nccs4)n3)cc2)c1.
What is the InChIKey of N-[4-(2-pyrrol-1-ylethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
The InChIKey is QQMARRRQCNDGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5OS/c1-2-11-24(10-1)12-13-25-16-5-3-15(4-6-16)22-19-21-8-7-17(23-19)18-20-9-14-26-18/h1-11,14H,12-13H2,(H,21,22,23).
What are the key properties of N-[4-(2-pyrrol-1-ylethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
N-[4-(2-pyrrol-1-ylethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine has a molecular weight of 363.45 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-pyrrol-1-ylethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 44565887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).