5,6-dimethyl-N-naphthalen-2-ylthieno[2,3-d]pyrimidin-4-amine

C18H15N3S — CID 705281

IUPAC5,6-dimethyl-N-naphthalen-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(Nc3ccc4ccccc4c3)c2c1C
InChIInChI=1S/C18H15N3S/c1-11-12(2)22-18-16(11)17(19-10-20-18)21-15-8-7-13-5-3-4-6-14(13)9-15/h3-10H,1-2H3,(H,19,20,21)
InChIKeyPQHPZEMFCFNZJO-UHFFFAOYSA-N
MW305.41 g/mol
LogP5.20
Rot. Bonds2

About 5,6-dimethyl-N-naphthalen-2-ylthieno[2,3-d]pyrimidin-4-amine

5,6-dimethyl-N-naphthalen-2-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 705281) has the molecular formula C18H15N3S and a molecular weight of 305.41 g/mol. Its IUPAC name is 5,6-dimethyl-N-naphthalen-2-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-naphthalen-2-ylthieno[2,3-d]pyrimidin-4-amine
PubChem CID705281
Molecular FormulaC18H15N3S
Molecular Weight305.41 g/mol
Exact Mass305.10
IUPAC Name5,6-dimethyl-N-naphthalen-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(Nc3ccc4ccccc4c3)c2c1C
InChIInChI=1S/C18H15N3S/c1-11-12(2)22-18-16(11)17(19-10-20-18)21-15-8-7-13-5-3-4-6-14(13)9-15/h3-10H,1-2H3,(H,19,20,21)
InChIKeyPQHPZEMFCFNZJO-UHFFFAOYSA-N
XLogP5.20
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.41
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-dimethyl-N-phenylthieno[2,3-d]pyrimidin-4-amine
CID 835079
5,6-dimethyl-N-(4-phenoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 757216
N-(3-fluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 769518
N-(4-ethoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 731293
3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid;hydrochloride
CID 2791328
5,6-dimethyl-N-(3-pyrazin-2-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 31980652
N-naphthalen-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 2495547
N-(2-ethylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 15985074
4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylbenzamide
CID 8934330
propan-2-yl 3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]benzoate
CID 21012642
6-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methyl-4H-1,4-benzoxazin-3-one
CID 18095960
N-(4-methoxyphenyl)-6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-amine;hydrochloride
CID 18593654

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-naphthalen-2-ylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-N-naphthalen-2-ylthieno[2,3-d]pyrimidin-4-amine (CID 705281) is 5,6-dimethyl-N-naphthalen-2-ylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-N-naphthalen-2-ylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-N-naphthalen-2-ylthieno[2,3-d]pyrimidin-4-amine is Cc1sc2ncnc(Nc3ccc4ccccc4c3)c2c1C.
What is the InChIKey of 5,6-dimethyl-N-naphthalen-2-ylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is PQHPZEMFCFNZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3S/c1-11-12(2)22-18-16(11)17(19-10-20-18)21-15-8-7-13-5-3-4-6-14(13)9-15/h3-10H,1-2H3,(H,19,20,21).
What are the key properties of 5,6-dimethyl-N-naphthalen-2-ylthieno[2,3-d]pyrimidin-4-amine?
5,6-dimethyl-N-naphthalen-2-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 305.41 g/mol, XLogP of 5.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-naphthalen-2-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 705281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).