4-(2-methylphenoxy)-N-propylthieno[2,3-d]pyrimidin-2-amine

C16H17N3OS — CID 103331849

IUPAC4-(2-methylphenoxy)-N-propylthieno[2,3-d]pyrimidin-2-amine
SMILESCCCNc1nc(Oc2ccccc2C)c2ccsc2n1
InChIInChI=1S/C16H17N3OS/c1-3-9-17-16-18-14(12-8-10-21-15(12)19-16)20-13-7-5-4-6-11(13)2/h4-8,10H,3,9H2,1-2H3,(H,17,18,19)
InChIKeyGGZVAIHSJFWCPO-UHFFFAOYSA-N
MW299.40 g/mol
LogP4.61
Rot. Bonds5

About 4-(2-methylphenoxy)-N-propylthieno[2,3-d]pyrimidin-2-amine

4-(2-methylphenoxy)-N-propylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 103331849) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 4-(2-methylphenoxy)-N-propylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-methylphenoxy)-N-propylthieno[2,3-d]pyrimidin-2-amine
PubChem CID103331849
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name4-(2-methylphenoxy)-N-propylthieno[2,3-d]pyrimidin-2-amine
SMILESCCCNc1nc(Oc2ccccc2C)c2ccsc2n1
InChIInChI=1S/C16H17N3OS/c1-3-9-17-16-18-14(12-8-10-21-15(12)19-16)20-13-7-5-4-6-11(13)2/h4-8,10H,3,9H2,1-2H3,(H,17,18,19)
InChIKeyGGZVAIHSJFWCPO-UHFFFAOYSA-N
XLogP4.61
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-4-(2-methylphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103331842
4-methoxy-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103331399
4-(2,5-dimethylphenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103331816
N-ethyl-4-(2-ethylphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103332005
4-(5-bromo-2-methylphenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine
CID 107287415
5-chloro-4-(2-methylphenoxy)-N-propylpyrimidin-2-amine
CID 80869484
4-(cyclopentylmethoxy)-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103332973
N-propyl-4-(2,2,3,3-tetrafluoropropoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103331237
4-N-pentyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324258
[2-[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]oxyphenyl]methanol
CID 103332566
N-ethyl-4-phenylmethoxythieno[2,3-d]pyrimidin-2-amine
CID 103331360
N-ethyl-4-pentoxythieno[2,3-d]pyrimidin-2-amine
CID 103331646

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenoxy)-N-propylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-(2-methylphenoxy)-N-propylthieno[2,3-d]pyrimidin-2-amine (CID 103331849) is 4-(2-methylphenoxy)-N-propylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(2-methylphenoxy)-N-propylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-(2-methylphenoxy)-N-propylthieno[2,3-d]pyrimidin-2-amine is CCCNc1nc(Oc2ccccc2C)c2ccsc2n1.
What is the InChIKey of 4-(2-methylphenoxy)-N-propylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is GGZVAIHSJFWCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-3-9-17-16-18-14(12-8-10-21-15(12)19-16)20-13-7-5-4-6-11(13)2/h4-8,10H,3,9H2,1-2H3,(H,17,18,19).
What are the key properties of 4-(2-methylphenoxy)-N-propylthieno[2,3-d]pyrimidin-2-amine?
4-(2-methylphenoxy)-N-propylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 299.40 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenoxy)-N-propylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103331849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).