6-ethyl-N-[oxolan-2-yl(phenyl)methyl]thieno[2,3-d]pyrimidin-4-amine

C19H21N3OS — CID 51133916

IUPAC6-ethyl-N-[oxolan-2-yl(phenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NC(c3ccccc3)C3CCCO3)ncnc2s1
InChIInChI=1S/C19H21N3OS/c1-2-14-11-15-18(20-12-21-19(15)24-14)22-17(16-9-6-10-23-16)13-7-4-3-5-8-13/h3-5,7-8,11-12,16-17H,2,6,9-10H2,1H3,(H,20,21,22)
InChIKeyNVDDZKKWHPNRQN-UHFFFAOYSA-N
MW339.46 g/mol
LogP4.59
Rot. Bonds5

About 6-ethyl-N-[oxolan-2-yl(phenyl)methyl]thieno[2,3-d]pyrimidin-4-amine

6-ethyl-N-[oxolan-2-yl(phenyl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 51133916) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is 6-ethyl-N-[oxolan-2-yl(phenyl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-[oxolan-2-yl(phenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID51133916
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC Name6-ethyl-N-[oxolan-2-yl(phenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NC(c3ccccc3)C3CCCO3)ncnc2s1
InChIInChI=1S/C19H21N3OS/c1-2-14-11-15-18(20-12-21-19(15)24-14)22-17(16-9-6-10-23-16)13-7-4-3-5-8-13/h3-5,7-8,11-12,16-17H,2,6,9-10H2,1H3,(H,20,21,22)
InChIKeyNVDDZKKWHPNRQN-UHFFFAOYSA-N
XLogP4.59
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-[oxolan-2-yl(phenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-[oxolan-2-yl(phenyl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 51133916) is 6-ethyl-N-[oxolan-2-yl(phenyl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-[oxolan-2-yl(phenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-[oxolan-2-yl(phenyl)methyl]thieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(NC(c3ccccc3)C3CCCO3)ncnc2s1.
What is the InChIKey of 6-ethyl-N-[oxolan-2-yl(phenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is NVDDZKKWHPNRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-2-14-11-15-18(20-12-21-19(15)24-14)22-17(16-9-6-10-23-16)13-7-4-3-5-8-13/h3-5,7-8,11-12,16-17H,2,6,9-10H2,1H3,(H,20,21,22).
What are the key properties of 6-ethyl-N-[oxolan-2-yl(phenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
6-ethyl-N-[oxolan-2-yl(phenyl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 339.46 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-[oxolan-2-yl(phenyl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 51133916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).