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

C20H24N4OS — CID 133278888

IUPACN,N-dimethyl-1-[4-(2-methylmorpholin-4-yl)-5-phenylthieno[2,3-d]pyrimidin-2-yl]methanamine
SMILESCC1CN(c2nc(CN(C)C)nc3scc(-c4ccccc4)c23)CCO1
InChIInChI=1S/C20H24N4OS/c1-14-11-24(9-10-25-14)19-18-16(15-7-5-4-6-8-15)13-26-20(18)22-17(21-19)12-23(2)3/h4-8,13-14H,9-12H2,1-3H3
InChIKeyGLYNSZVKUHZTBO-UHFFFAOYSA-N
MW368.51 g/mol
LogP3.64
Rot. Bonds4

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

N,N-dimethyl-1-[4-(2-methylmorpholin-4-yl)-5-phenylthieno[2,3-d]pyrimidin-2-yl]methanamine (PubChem CID 133278888) has the molecular formula C20H24N4OS and a molecular weight of 368.51 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-(2-methylmorpholin-4-yl)-5-phenylthieno[2,3-d]pyrimidin-2-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-(2-methylmorpholin-4-yl)-5-phenylthieno[2,3-d]pyrimidin-2-yl]methanamine
PubChem CID133278888
Molecular FormulaC20H24N4OS
Molecular Weight368.51 g/mol
Exact Mass368.17
IUPAC NameN,N-dimethyl-1-[4-(2-methylmorpholin-4-yl)-5-phenylthieno[2,3-d]pyrimidin-2-yl]methanamine
SMILESCC1CN(c2nc(CN(C)C)nc3scc(-c4ccccc4)c23)CCO1
InChIInChI=1S/C20H24N4OS/c1-14-11-24(9-10-25-14)19-18-16(15-7-5-4-6-8-15)13-26-20(18)22-17(21-19)12-23(2)3/h4-8,13-14H,9-12H2,1-3H3
InChIKeyGLYNSZVKUHZTBO-UHFFFAOYSA-N
XLogP3.64
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 53.64
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-(2-methylmorpholin-4-yl)-5-phenylthieno[2,3-d]pyrimidin-2-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[4-(2-methylmorpholin-4-yl)-5-phenylthieno[2,3-d]pyrimidin-2-yl]methanamine (CID 133278888) is N,N-dimethyl-1-[4-(2-methylmorpholin-4-yl)-5-phenylthieno[2,3-d]pyrimidin-2-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[4-(2-methylmorpholin-4-yl)-5-phenylthieno[2,3-d]pyrimidin-2-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[4-(2-methylmorpholin-4-yl)-5-phenylthieno[2,3-d]pyrimidin-2-yl]methanamine is CC1CN(c2nc(CN(C)C)nc3scc(-c4ccccc4)c23)CCO1.
What is the InChIKey of N,N-dimethyl-1-[4-(2-methylmorpholin-4-yl)-5-phenylthieno[2,3-d]pyrimidin-2-yl]methanamine?
The InChIKey is GLYNSZVKUHZTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4OS/c1-14-11-24(9-10-25-14)19-18-16(15-7-5-4-6-8-15)13-26-20(18)22-17(21-19)12-23(2)3/h4-8,13-14H,9-12H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[4-(2-methylmorpholin-4-yl)-5-phenylthieno[2,3-d]pyrimidin-2-yl]methanamine?
N,N-dimethyl-1-[4-(2-methylmorpholin-4-yl)-5-phenylthieno[2,3-d]pyrimidin-2-yl]methanamine has a molecular weight of 368.51 g/mol, XLogP of 3.64, 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-(2-methylmorpholin-4-yl)-5-phenylthieno[2,3-d]pyrimidin-2-yl]methanamine is sourced from PubChem (CID 133278888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).