N-[3-chloro-4-(thiophen-2-ylmethoxy)phenyl]pyrido[4,3-d]pyrimidin-4-amine

C18H13ClN4OS — CID 57003876

IUPACN-[3-chloro-4-(thiophen-2-ylmethoxy)phenyl]pyrido[4,3-d]pyrimidin-4-amine
SMILESClc1cc(Nc2ncnc3ccncc23)ccc1OCc1cccs1
InChIInChI=1S/C18H13ClN4OS/c19-15-8-12(3-4-17(15)24-10-13-2-1-7-25-13)23-18-14-9-20-6-5-16(14)21-11-22-18/h1-9,11H,10H2,(H,21,22,23)
InChIKeyFFTFIYMCDVOOGE-UHFFFAOYSA-N
MW368.85 g/mol
LogP5.06
Rot. Bonds5

About N-[3-chloro-4-(thiophen-2-ylmethoxy)phenyl]pyrido[4,3-d]pyrimidin-4-amine

N-[3-chloro-4-(thiophen-2-ylmethoxy)phenyl]pyrido[4,3-d]pyrimidin-4-amine (PubChem CID 57003876) has the molecular formula C18H13ClN4OS and a molecular weight of 368.85 g/mol. Its IUPAC name is N-[3-chloro-4-(thiophen-2-ylmethoxy)phenyl]pyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[3-chloro-4-(thiophen-2-ylmethoxy)phenyl]pyrido[4,3-d]pyrimidin-4-amine
PubChem CID57003876
Molecular FormulaC18H13ClN4OS
Molecular Weight368.85 g/mol
Exact Mass368.05
IUPAC NameN-[3-chloro-4-(thiophen-2-ylmethoxy)phenyl]pyrido[4,3-d]pyrimidin-4-amine
SMILESClc1cc(Nc2ncnc3ccncc23)ccc1OCc1cccs1
InChIInChI=1S/C18H13ClN4OS/c19-15-8-12(3-4-17(15)24-10-13-2-1-7-25-13)23-18-14-9-20-6-5-16(14)21-11-22-18/h1-9,11H,10H2,(H,21,22,23)
InChIKeyFFTFIYMCDVOOGE-UHFFFAOYSA-N
XLogP5.06
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.85
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[3-chloro-4-(pyridin-4-ylmethoxy)phenyl]quinazoline-4,6-diamine
CID 69221072
N-(3-chlorophenyl)pyrido[4,3-d]pyrimidin-4-amine
CID 22460895
6-bromo-N-(3-chloro-4-phenylmethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 118364959
4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)quinazoline-4,6-diamine
CID 11670208
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-7-fluoroquinazolin-4-amine
CID 141145307
4-N-[3-chloro-4-(furan-3-ylmethoxy)phenyl]quinazoline-4,6-diamine
CID 67600221
5-[4-[3-chloro-4-(pyrazin-2-ylmethoxy)anilino]quinazolin-6-yl]furan-2-carbaldehyde
CID 87424841
N'-[4-[3-chloro-4-(pyridin-4-ylmethoxy)anilino]quinazolin-6-yl]-N-[3-(dimethylamino)propyl]but-2-enediamide
CID 54043765
6-bromo-N-(3-chloro-4-methoxyphenyl)quinazolin-4-amine
CID 121416177
N-(3-chloro-4-isoquinolin-8-yloxyphenyl)-6-[(E)-3-morpholin-4-ylprop-1-enyl]quinazolin-4-amine
CID 169222954
6-bromo-N-[3-chloro-4-(oxolan-3-ylmethoxy)phenyl]quinazolin-4-amine
CID 166539469
[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]boronic acid
CID 21071164

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(thiophen-2-ylmethoxy)phenyl]pyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of N-[3-chloro-4-(thiophen-2-ylmethoxy)phenyl]pyrido[4,3-d]pyrimidin-4-amine (CID 57003876) is N-[3-chloro-4-(thiophen-2-ylmethoxy)phenyl]pyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[3-chloro-4-(thiophen-2-ylmethoxy)phenyl]pyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[3-chloro-4-(thiophen-2-ylmethoxy)phenyl]pyrido[4,3-d]pyrimidin-4-amine is Clc1cc(Nc2ncnc3ccncc23)ccc1OCc1cccs1.
What is the InChIKey of N-[3-chloro-4-(thiophen-2-ylmethoxy)phenyl]pyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is FFTFIYMCDVOOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4OS/c19-15-8-12(3-4-17(15)24-10-13-2-1-7-25-13)23-18-14-9-20-6-5-16(14)21-11-22-18/h1-9,11H,10H2,(H,21,22,23).
What are the key properties of N-[3-chloro-4-(thiophen-2-ylmethoxy)phenyl]pyrido[4,3-d]pyrimidin-4-amine?
N-[3-chloro-4-(thiophen-2-ylmethoxy)phenyl]pyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 368.85 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(thiophen-2-ylmethoxy)phenyl]pyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 57003876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).