4-[(5-methyl-1,3-thiazol-2-yl)methoxy]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-amine

C17H16N6OS — CID 121401336

IUPAC4-[(5-methyl-1,3-thiazol-2-yl)methoxy]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-amine
SMILESCc1cnc(COc2nc(N)nc3ccn(Cc4ccccn4)c23)s1
InChIInChI=1S/C17H16N6OS/c1-11-8-20-14(25-11)10-24-16-15-13(21-17(18)22-16)5-7-23(15)9-12-4-2-3-6-19-12/h2-8H,9-10H2,1H3,(H2,18,21,22)
InChIKeySYPWQAWULYRCBC-UHFFFAOYSA-N
MW352.42 g/mol
LogP2.80
Rot. Bonds5

About 4-[(5-methyl-1,3-thiazol-2-yl)methoxy]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-amine

4-[(5-methyl-1,3-thiazol-2-yl)methoxy]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-amine (PubChem CID 121401336) has the molecular formula C17H16N6OS and a molecular weight of 352.42 g/mol. Its IUPAC name is 4-[(5-methyl-1,3-thiazol-2-yl)methoxy]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(5-methyl-1,3-thiazol-2-yl)methoxy]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-amine
PubChem CID121401336
Molecular FormulaC17H16N6OS
Molecular Weight352.42 g/mol
Exact Mass352.11
IUPAC Name4-[(5-methyl-1,3-thiazol-2-yl)methoxy]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-amine
SMILESCc1cnc(COc2nc(N)nc3ccn(Cc4ccccn4)c23)s1
InChIInChI=1S/C17H16N6OS/c1-11-8-20-14(25-11)10-24-16-15-13(21-17(18)22-16)5-7-23(15)9-12-4-2-3-6-19-12/h2-8H,9-10H2,1H3,(H2,18,21,22)
InChIKeySYPWQAWULYRCBC-UHFFFAOYSA-N
XLogP2.80
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(7R,11R)-8-ethyl-3-methoxy-7-methyl-11-(2-methyl-1,3-thiazol-5-yl)-17-oxa-5,8,10,20,23,25-hexazatetracyclo[16.6.1.12,6.019,23]hexacosa-1(24),2(26),3,5,18(25),19,21-heptaen-9-one
CID 167047234
N-(3-(pyridin-3-yloxy)phenyl)-4-(thiazol-2-yl)pyrimidin-2-amine
CID 9902848
N-(4-(2-(1H-pyrrol-1-yl)ethoxy)phenyl)-4-(thiazol-2-yl)pyrimidin-2-amine
CID 44565887
9-cyclopentyl-2-morpholin-4-yl-N-[4-(1,3-thiazol-2-yloxy)phenyl]purin-6-amine
CID 155512420
4-[(5-Methyl-1,2,4-oxadiazol-3-yl)methoxy]-5-[(pyridin-2-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidin-2-amine
CID 121401335
US10059713, Example 161
CID 129187123
N-[5-(2-methoxy-4-pyridinyl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine
CID 135129176
3-methyl-N-[4-(oxan-4-yloxy)-5-phenylpyrrolo[3,2-d]pyrimidin-2-yl]-1,2-thiazol-5-amine
CID 135129187
3-methyl-N-[4-(oxan-4-yloxy)-5-pyridazin-4-ylpyrrolo[3,2-d]pyrimidin-2-yl]-1,2-thiazol-5-amine
CID 135129191
3-methyl-N-[4-(oxan-4-yloxy)-5-pyrimidin-5-ylpyrrolo[3,2-d]pyrimidin-2-yl]-1,2-thiazol-5-amine
CID 135129193
5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxy-N-thiophen-3-ylpyrrolo[3,2-d]pyrimidin-2-amine
CID 135129199
3-methyl-N-[5-(1-methylpyrazol-4-yl)-4-piperidin-4-yloxypyrrolo[3,2-d]pyrimidin-2-yl]-1,2-thiazol-5-amine
CID 135129218

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1,3-thiazol-2-yl)methoxy]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-amine?
The IUPAC name of 4-[(5-methyl-1,3-thiazol-2-yl)methoxy]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-amine (CID 121401336) is 4-[(5-methyl-1,3-thiazol-2-yl)methoxy]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 4-[(5-methyl-1,3-thiazol-2-yl)methoxy]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 4-[(5-methyl-1,3-thiazol-2-yl)methoxy]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-amine is Cc1cnc(COc2nc(N)nc3ccn(Cc4ccccn4)c23)s1.
What is the InChIKey of 4-[(5-methyl-1,3-thiazol-2-yl)methoxy]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-amine?
The InChIKey is SYPWQAWULYRCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6OS/c1-11-8-20-14(25-11)10-24-16-15-13(21-17(18)22-16)5-7-23(15)9-12-4-2-3-6-19-12/h2-8H,9-10H2,1H3,(H2,18,21,22).
What are the key properties of 4-[(5-methyl-1,3-thiazol-2-yl)methoxy]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-amine?
4-[(5-methyl-1,3-thiazol-2-yl)methoxy]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-amine has a molecular weight of 352.42 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1,3-thiazol-2-yl)methoxy]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 121401336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).