N,5,6-trimethyl-N-[(4-methylphenyl)methyl]-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

C22H28N4OS — CID 9113875

IUPACN,5,6-trimethyl-N-[(4-methylphenyl)methyl]-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(CN(C)c2nc(CN3CCOCC3)nc3sc(C)c(C)c23)cc1
InChIInChI=1S/C22H28N4OS/c1-15-5-7-18(8-6-15)13-25(4)21-20-16(2)17(3)28-22(20)24-19(23-21)14-26-9-11-27-12-10-26/h5-8H,9-14H2,1-4H3
InChIKeyYWCGVTHDDYMPOS-UHFFFAOYSA-N
MW396.56 g/mol
LogP4.09
Rot. Bonds5

About N,5,6-trimethyl-N-[(4-methylphenyl)methyl]-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

N,5,6-trimethyl-N-[(4-methylphenyl)methyl]-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 9113875) has the molecular formula C22H28N4OS and a molecular weight of 396.56 g/mol. Its IUPAC name is N,5,6-trimethyl-N-[(4-methylphenyl)methyl]-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,5,6-trimethyl-N-[(4-methylphenyl)methyl]-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID9113875
Molecular FormulaC22H28N4OS
Molecular Weight396.56 g/mol
Exact Mass396.20
IUPAC NameN,5,6-trimethyl-N-[(4-methylphenyl)methyl]-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(CN(C)c2nc(CN3CCOCC3)nc3sc(C)c(C)c23)cc1
InChIInChI=1S/C22H28N4OS/c1-15-5-7-18(8-6-15)13-25(4)21-20-16(2)17(3)28-22(20)24-19(23-21)14-26-9-11-27-12-10-26/h5-8H,9-14H2,1-4H3
InChIKeyYWCGVTHDDYMPOS-UHFFFAOYSA-N
XLogP4.09
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.56
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,5,6-trimethyl-N-[(4-methylphenyl)methyl]-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N,5,6-trimethyl-N-[(4-methylphenyl)methyl]-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 9113875) is N,5,6-trimethyl-N-[(4-methylphenyl)methyl]-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N,5,6-trimethyl-N-[(4-methylphenyl)methyl]-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N,5,6-trimethyl-N-[(4-methylphenyl)methyl]-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is Cc1ccc(CN(C)c2nc(CN3CCOCC3)nc3sc(C)c(C)c23)cc1.
What is the InChIKey of N,5,6-trimethyl-N-[(4-methylphenyl)methyl]-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is YWCGVTHDDYMPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4OS/c1-15-5-7-18(8-6-15)13-25(4)21-20-16(2)17(3)28-22(20)24-19(23-21)14-26-9-11-27-12-10-26/h5-8H,9-14H2,1-4H3.
What are the key properties of N,5,6-trimethyl-N-[(4-methylphenyl)methyl]-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
N,5,6-trimethyl-N-[(4-methylphenyl)methyl]-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 396.56 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,6-trimethyl-N-[(4-methylphenyl)methyl]-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 9113875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).