N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

C20H24N4OS — CID 7831341

IUPACN-[[(2S)-4-benzylmorpholin-2-yl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(NC[C@H]3CN(Cc4ccccc4)CCO3)c2c1C
InChIInChI=1S/C20H24N4OS/c1-14-15(2)26-20-18(14)19(22-13-23-20)21-10-17-12-24(8-9-25-17)11-16-6-4-3-5-7-16/h3-7,13,17H,8-12H2,1-2H3,(H,21,22,23)/t17-/m0/s1
InChIKeyLUANCSAMHDSAOY-KRWDZBQOSA-N
MW368.51 g/mol
LogP3.62
Rot. Bonds5

About N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 7831341) has the molecular formula C20H24N4OS and a molecular weight of 368.51 g/mol. Its IUPAC name is N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[(2S)-4-benzylmorpholin-2-yl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID7831341
Molecular FormulaC20H24N4OS
Molecular Weight368.51 g/mol
Exact Mass368.17
IUPAC NameN-[[(2S)-4-benzylmorpholin-2-yl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(NC[C@H]3CN(Cc4ccccc4)CCO3)c2c1C
InChIInChI=1S/C20H24N4OS/c1-14-15(2)26-20-18(14)19(22-13-23-20)21-10-17-12-24(8-9-25-17)11-16-6-4-3-5-7-16/h3-7,13,17H,8-12H2,1-2H3,(H,21,22,23)/t17-/m0/s1
InChIKeyLUANCSAMHDSAOY-KRWDZBQOSA-N
XLogP3.62
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

5,6-dimethyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 78805469
5,6-dimethyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 72875701
N-[(1-benzylpiperidin-4-ylidene)amino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 9409213
N-(cyclopropylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 43112058
1-(4-benzylmorpholin-2-yl)-N-iodomethanamine
CID 163437962
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
(2R)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]propanamide
CID 119829876
(2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]propanamide
CID 119829898
N-benzyl-N,5-dimethyl-4-[[(2R)-oxolan-2-yl]methylamino]thieno[2,3-d]pyrimidine-6-carboxamide
CID 42418902
5-methyl-4-[[(2S)-oxolan-2-yl]methylamino]-N-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 25294833
[(2R)-4-benzylmorpholin-2-yl]methanol;hydrochloride
CID 132648231
5,6-dimethyl-N-phenylthieno[2,3-d]pyrimidin-4-amine
CID 835079

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 7831341) is N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is Cc1sc2ncnc(NC[C@H]3CN(Cc4ccccc4)CCO3)c2c1C.
What is the InChIKey of N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is LUANCSAMHDSAOY-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H24N4OS/c1-14-15(2)26-20-18(14)19(22-13-23-20)21-10-17-12-24(8-9-25-17)11-16-6-4-3-5-7-16/h3-7,13,17H,8-12H2,1-2H3,(H,21,22,23)/t17-/m0/s1.
What are the key properties of N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 368.51 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 7831341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).