[4-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone

C22H23ClN4OS — CID 87802888

IUPAC[4-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone
SMILESCCc1cc2c(N3CCN(C(=O)C4CC4c4ccccc4)CC3)nc(Cl)nc2s1
InChIInChI=1S/C22H23ClN4OS/c1-2-15-12-18-19(24-22(23)25-20(18)29-15)26-8-10-27(11-9-26)21(28)17-13-16(17)14-6-4-3-5-7-14/h3-7,12,16-17H,2,8-11,13H2,1H3
InChIKeyQZJUPEGRSDEVEN-UHFFFAOYSA-N
MW426.97 g/mol
LogP4.36
Rot. Bonds4

About [4-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone

[4-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone (PubChem CID 87802888) has the molecular formula C22H23ClN4OS and a molecular weight of 426.97 g/mol. Its IUPAC name is [4-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone.

Molecular Properties

Compound Name[4-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone
PubChem CID87802888
Molecular FormulaC22H23ClN4OS
Molecular Weight426.97 g/mol
Exact Mass426.13
IUPAC Name[4-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone
SMILESCCc1cc2c(N3CCN(C(=O)C4CC4c4ccccc4)CC3)nc(Cl)nc2s1
InChIInChI=1S/C22H23ClN4OS/c1-2-15-12-18-19(24-22(23)25-20(18)29-15)26-8-10-27(11-9-26)21(28)17-13-16(17)14-6-4-3-5-7-14/h3-7,12,16-17H,2,8-11,13H2,1H3
InChIKeyQZJUPEGRSDEVEN-UHFFFAOYSA-N
XLogP4.36
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.97
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[2-[(2R)-2,3-dihydroxypropoxy]-6-ethylthieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-(2-phenylcyclopropyl)methanone
CID 69377940
[4-[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-6-ethylthieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-(2-phenylcyclopropyl)methanone
CID 69423195
(2S,6R)-4-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-2,6-dimethylmorpholine
CID 93213873
[4-(2-benzyl-6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 91964872
4-(3-tert-butylpyrrolidin-1-yl)-2-chloro-6-ethylthieno[2,3-d]pyrimidine
CID 103322436
1-[4-[6-ethyl-2-(furan-2-ylmethylamino)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-phenylethanone
CID 11950157
1-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine
CID 103321619
4-(4-benzylpiperazin-1-yl)-2,6-diethylthieno[2,3-d]pyrimidine
CID 50947714
[4-(2,6-dimethyl-5-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone
CID 5073556
[4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 39073313
2-[2-[4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 39073293
[4-(2-butyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone
CID 93117903

Frequently Asked Questions

What is the IUPAC name of [4-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone?
The IUPAC name of [4-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone (CID 87802888) is [4-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone.
What is the SMILES notation for [4-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone?
The canonical SMILES for [4-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone is CCc1cc2c(N3CCN(C(=O)C4CC4c4ccccc4)CC3)nc(Cl)nc2s1.
What is the InChIKey of [4-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone?
The InChIKey is QZJUPEGRSDEVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4OS/c1-2-15-12-18-19(24-22(23)25-20(18)29-15)26-8-10-27(11-9-26)21(28)17-13-16(17)14-6-4-3-5-7-14/h3-7,12,16-17H,2,8-11,13H2,1H3.
What are the key properties of [4-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone?
[4-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone has a molecular weight of 426.97 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone is sourced from PubChem (CID 87802888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).