N-(4-methoxyphenyl)-N,2,5-trimethylthieno[2,3-d]pyrimidin-4-amine

C16H17N3OS — CID 44583644

IUPACN-(4-methoxyphenyl)-N,2,5-trimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(N(C)c2nc(C)nc3scc(C)c23)cc1
InChIInChI=1S/C16H17N3OS/c1-10-9-21-16-14(10)15(17-11(2)18-16)19(3)12-5-7-13(20-4)8-6-12/h5-9H,1-4H3
InChIKeyCGJODQVPKIBUIQ-UHFFFAOYSA-N
MW299.40 g/mol
LogP4.08
Rot. Bonds3

About N-(4-methoxyphenyl)-N,2,5-trimethylthieno[2,3-d]pyrimidin-4-amine

N-(4-methoxyphenyl)-N,2,5-trimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 44583644) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N,2,5-trimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N,2,5-trimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID44583644
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC NameN-(4-methoxyphenyl)-N,2,5-trimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(N(C)c2nc(C)nc3scc(C)c23)cc1
InChIInChI=1S/C16H17N3OS/c1-10-9-21-16-14(10)15(17-11(2)18-16)19(3)12-5-7-13(20-4)8-6-12/h5-9H,1-4H3
InChIKeyCGJODQVPKIBUIQ-UHFFFAOYSA-N
XLogP4.08
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Thienopyrimidine deriv. 15
CID 6539992
2-Methylthieno[2,3-d]pyrimidin-4-yl phenyl ether
CID 1233965
7-Ethyl-6-[(3-Methoxyphenyl)sulfanyl]-5-Methyl-7h-Pyrrolo[2,3-D]pyrimidine-2,4-Diamine
CID 124080837
6-[(4-Methoxyphenyl)sulfanyl]-5,7-Dimethyl-7h-Pyrrolo[2,3-D]pyrimidine-2,4-Diamine
CID 124080838
N-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 2503621
N-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 5157219
N-(2-methoxy-5-methylphenyl)-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 5185787
4-(6-Ethyl-2-methyl-thieno[2,3-d]pyrimidin-4-ylamino)-phenol
CID 6458036
N-(4-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine hydrochloride
CID 16370450
8-Methoxy-2,3,4-trimethylpyrimido[2,1-b][1,3]benzothiazol-5-ium
CID 834959
N1-[4-(trifluoromethoxy)phenyl]-4-(5-methylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide
CID 2808509
N*2*-(4-Methoxy-2-methyl-phenyl)-N*4*-methyl-N*4*-phenyl-thieno[3,2-d]pyrimidine-2,4-diamine
CID 10474673

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N,2,5-trimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(4-methoxyphenyl)-N,2,5-trimethylthieno[2,3-d]pyrimidin-4-amine (CID 44583644) is N-(4-methoxyphenyl)-N,2,5-trimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-N,2,5-trimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-methoxyphenyl)-N,2,5-trimethylthieno[2,3-d]pyrimidin-4-amine is COc1ccc(N(C)c2nc(C)nc3scc(C)c23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N,2,5-trimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is CGJODQVPKIBUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-10-9-21-16-14(10)15(17-11(2)18-16)19(3)12-5-7-13(20-4)8-6-12/h5-9H,1-4H3.
What are the key properties of N-(4-methoxyphenyl)-N,2,5-trimethylthieno[2,3-d]pyrimidin-4-amine?
N-(4-methoxyphenyl)-N,2,5-trimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 299.40 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N,2,5-trimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 44583644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).