6-methyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride

C15H16ClN3S — CID 2974702

IUPAC6-methyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride
SMILESCc1cc2c(NCCc3ccccc3)ncnc2s1.Cl
InChIInChI=1S/C15H15N3S.ClH/c1-11-9-13-14(17-10-18-15(13)19-11)16-8-7-12-5-3-2-4-6-12;/h2-6,9-10H,7-8H2,1H3,(H,16,17,18);1H
InChIKeyDMSUFDHUTCTWCM-UHFFFAOYSA-N
MW305.83 g/mol
LogP4.08
Rot. Bonds4

About 6-methyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride

6-methyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride (PubChem CID 2974702) has the molecular formula C15H16ClN3S and a molecular weight of 305.83 g/mol. Its IUPAC name is 6-methyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound Name6-methyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride
PubChem CID2974702
Molecular FormulaC15H16ClN3S
Molecular Weight305.83 g/mol
Exact Mass305.08
IUPAC Name6-methyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride
SMILESCc1cc2c(NCCc3ccccc3)ncnc2s1.Cl
InChIInChI=1S/C15H15N3S.ClH/c1-11-9-13-14(17-10-18-15(13)19-11)16-8-7-12-5-3-2-4-6-12;/h2-6,9-10H,7-8H2,1H3,(H,16,17,18);1H
InChIKeyDMSUFDHUTCTWCM-UHFFFAOYSA-N
XLogP4.08
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride?
The IUPAC name of 6-methyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride (CID 2974702) is 6-methyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for 6-methyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for 6-methyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride is Cc1cc2c(NCCc3ccccc3)ncnc2s1.Cl.
What is the InChIKey of 6-methyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride?
The InChIKey is DMSUFDHUTCTWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S.ClH/c1-11-9-13-14(17-10-18-15(13)19-11)16-8-7-12-5-3-2-4-6-12;/h2-6,9-10H,7-8H2,1H3,(H,16,17,18);1H.
What are the key properties of 6-methyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride?
6-methyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride has a molecular weight of 305.83 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 2974702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).