N,N-dimethyl-1-(4-morpholin-4-yl-5-phenylthieno[2,3-d]pyrimidin-2-yl)methanamine

C19H22N4OS — CID 133278686

IUPACN,N-dimethyl-1-(4-morpholin-4-yl-5-phenylthieno[2,3-d]pyrimidin-2-yl)methanamine
SMILESCN(C)Cc1nc(N2CCOCC2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C19H22N4OS/c1-22(2)12-16-20-18(23-8-10-24-11-9-23)17-15(13-25-19(17)21-16)14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3
InChIKeyDMACDVWJDZCYJK-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.26
Rot. Bonds4

About N,N-dimethyl-1-(4-morpholin-4-yl-5-phenylthieno[2,3-d]pyrimidin-2-yl)methanamine

N,N-dimethyl-1-(4-morpholin-4-yl-5-phenylthieno[2,3-d]pyrimidin-2-yl)methanamine (PubChem CID 133278686) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is N,N-dimethyl-1-(4-morpholin-4-yl-5-phenylthieno[2,3-d]pyrimidin-2-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(4-morpholin-4-yl-5-phenylthieno[2,3-d]pyrimidin-2-yl)methanamine
PubChem CID133278686
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC NameN,N-dimethyl-1-(4-morpholin-4-yl-5-phenylthieno[2,3-d]pyrimidin-2-yl)methanamine
SMILESCN(C)Cc1nc(N2CCOCC2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C19H22N4OS/c1-22(2)12-16-20-18(23-8-10-24-11-9-23)17-15(13-25-19(17)21-16)14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3
InChIKeyDMACDVWJDZCYJK-UHFFFAOYSA-N
XLogP3.26
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(4-morpholin-4-yl-5-phenylthieno[2,3-d]pyrimidin-2-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(4-morpholin-4-yl-5-phenylthieno[2,3-d]pyrimidin-2-yl)methanamine (CID 133278686) is N,N-dimethyl-1-(4-morpholin-4-yl-5-phenylthieno[2,3-d]pyrimidin-2-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(4-morpholin-4-yl-5-phenylthieno[2,3-d]pyrimidin-2-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(4-morpholin-4-yl-5-phenylthieno[2,3-d]pyrimidin-2-yl)methanamine is CN(C)Cc1nc(N2CCOCC2)c2c(-c3ccccc3)csc2n1.
What is the InChIKey of N,N-dimethyl-1-(4-morpholin-4-yl-5-phenylthieno[2,3-d]pyrimidin-2-yl)methanamine?
The InChIKey is DMACDVWJDZCYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-22(2)12-16-20-18(23-8-10-24-11-9-23)17-15(13-25-19(17)21-16)14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3.
What are the key properties of N,N-dimethyl-1-(4-morpholin-4-yl-5-phenylthieno[2,3-d]pyrimidin-2-yl)methanamine?
N,N-dimethyl-1-(4-morpholin-4-yl-5-phenylthieno[2,3-d]pyrimidin-2-yl)methanamine has a molecular weight of 354.48 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(4-morpholin-4-yl-5-phenylthieno[2,3-d]pyrimidin-2-yl)methanamine is sourced from PubChem (CID 133278686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).