N-[(7-methyl-4-morpholin-4-yl-2-pyrimidin-5-ylthieno[3,2-d]pyrimidin-6-yl)methyl]propanamide

C19H22N6O2S — CID 90690493

IUPACN-[(7-methyl-4-morpholin-4-yl-2-pyrimidin-5-ylthieno[3,2-d]pyrimidin-6-yl)methyl]propanamide
SMILESCCC(=O)NCc1sc2c(N3CCOCC3)nc(-c3cncnc3)nc2c1C
InChIInChI=1S/C19H22N6O2S/c1-3-15(26)22-10-14-12(2)16-17(28-14)19(25-4-6-27-7-5-25)24-18(23-16)13-8-20-11-21-9-13/h8-9,11H,3-7,10H2,1-2H3,(H,22,26)
InChIKeyDRXIGVQPKREYQE-UHFFFAOYSA-N
MW398.49 g/mol
LogP2.32
Rot. Bonds5

About N-[(7-methyl-4-morpholin-4-yl-2-pyrimidin-5-ylthieno[3,2-d]pyrimidin-6-yl)methyl]propanamide

N-[(7-methyl-4-morpholin-4-yl-2-pyrimidin-5-ylthieno[3,2-d]pyrimidin-6-yl)methyl]propanamide (PubChem CID 90690493) has the molecular formula C19H22N6O2S and a molecular weight of 398.49 g/mol. Its IUPAC name is N-[(7-methyl-4-morpholin-4-yl-2-pyrimidin-5-ylthieno[3,2-d]pyrimidin-6-yl)methyl]propanamide.

Molecular Properties

Compound NameN-[(7-methyl-4-morpholin-4-yl-2-pyrimidin-5-ylthieno[3,2-d]pyrimidin-6-yl)methyl]propanamide
PubChem CID90690493
Molecular FormulaC19H22N6O2S
Molecular Weight398.49 g/mol
Exact Mass398.15
IUPAC NameN-[(7-methyl-4-morpholin-4-yl-2-pyrimidin-5-ylthieno[3,2-d]pyrimidin-6-yl)methyl]propanamide
SMILESCCC(=O)NCc1sc2c(N3CCOCC3)nc(-c3cncnc3)nc2c1C
InChIInChI=1S/C19H22N6O2S/c1-3-15(26)22-10-14-12(2)16-17(28-14)19(25-4-6-27-7-5-25)24-18(23-16)13-8-20-11-21-9-13/h8-9,11H,3-7,10H2,1-2H3,(H,22,26)
InChIKeyDRXIGVQPKREYQE-UHFFFAOYSA-N
XLogP2.32
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(2S)-2-hydroxy-3-[4-[(7-methyl-4-morpholin-4-yl-2-pyridin-3-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]propanal
CID 87669676
3-[4-[[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-hydroxypropanal
CID 87530195
N-[[2-(6-amino-3-pyridinyl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylbenzamide
CID 25109497
(2S)-1-[4-[[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one;hydrochloride
CID 57402096
ethyl 11-(2-aminopyrimidin-5-yl)-9-morpholin-4-yl-7-thia-4,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene-4-carboxylate
CID 56838921
3-[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N-(2-hydroxyethyl)benzamide
CID 59829345
(2S)-1-[4-[[2-[2-(dimethylamino)pyrimidin-5-yl]-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-hydroxybut-3-en-1-one
CID 143690070
N-[2-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)ethyl]benzamide
CID 90831532
N-[4-[[4-(6-fluoro-4-morpholin-4-yl-7-pyrimidin-5-ylquinazolin-2-yl)phenyl]carbamoylamino]phenyl]propanamide
CID 123932852
acetylene;2-hydroxy-1-[4-[[7-methyl-4-morpholin-4-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)thieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]ethanone
CID 143572074
N-[(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-methylbenzamide
CID 59829525
benzoyl chloride;1-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-N-methylmethanamine;N-[(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-methylbenzamide
CID 162026956

Frequently Asked Questions

What is the IUPAC name of N-[(7-methyl-4-morpholin-4-yl-2-pyrimidin-5-ylthieno[3,2-d]pyrimidin-6-yl)methyl]propanamide?
The IUPAC name of N-[(7-methyl-4-morpholin-4-yl-2-pyrimidin-5-ylthieno[3,2-d]pyrimidin-6-yl)methyl]propanamide (CID 90690493) is N-[(7-methyl-4-morpholin-4-yl-2-pyrimidin-5-ylthieno[3,2-d]pyrimidin-6-yl)methyl]propanamide.
What is the SMILES notation for N-[(7-methyl-4-morpholin-4-yl-2-pyrimidin-5-ylthieno[3,2-d]pyrimidin-6-yl)methyl]propanamide?
The canonical SMILES for N-[(7-methyl-4-morpholin-4-yl-2-pyrimidin-5-ylthieno[3,2-d]pyrimidin-6-yl)methyl]propanamide is CCC(=O)NCc1sc2c(N3CCOCC3)nc(-c3cncnc3)nc2c1C.
What is the InChIKey of N-[(7-methyl-4-morpholin-4-yl-2-pyrimidin-5-ylthieno[3,2-d]pyrimidin-6-yl)methyl]propanamide?
The InChIKey is DRXIGVQPKREYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2S/c1-3-15(26)22-10-14-12(2)16-17(28-14)19(25-4-6-27-7-5-25)24-18(23-16)13-8-20-11-21-9-13/h8-9,11H,3-7,10H2,1-2H3,(H,22,26).
What are the key properties of N-[(7-methyl-4-morpholin-4-yl-2-pyrimidin-5-ylthieno[3,2-d]pyrimidin-6-yl)methyl]propanamide?
N-[(7-methyl-4-morpholin-4-yl-2-pyrimidin-5-ylthieno[3,2-d]pyrimidin-6-yl)methyl]propanamide has a molecular weight of 398.49 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methyl-4-morpholin-4-yl-2-pyrimidin-5-ylthieno[3,2-d]pyrimidin-6-yl)methyl]propanamide is sourced from PubChem (CID 90690493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).