(2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-thieno[2,3-d]pyrimidin-4-ylmorpholine

C15H17N5OS — CID 95337729

IUPAC(2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-thieno[2,3-d]pyrimidin-4-ylmorpholine
SMILESCc1cnn(C[C@@H]2CN(c3ncnc4sccc34)CCO2)c1
InChIInChI=1S/C15H17N5OS/c1-11-6-18-20(7-11)9-12-8-19(3-4-21-12)14-13-2-5-22-15(13)17-10-16-14/h2,5-7,10,12H,3-4,8-9H2,1H3/t12-/m0/s1
InChIKeyADIMMKRMCRYMBA-LBPRGKRZSA-N
MW315.40 g/mol
LogP2.10
Rot. Bonds3

About (2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-thieno[2,3-d]pyrimidin-4-ylmorpholine

(2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-thieno[2,3-d]pyrimidin-4-ylmorpholine (PubChem CID 95337729) has the molecular formula C15H17N5OS and a molecular weight of 315.40 g/mol. Its IUPAC name is (2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-thieno[2,3-d]pyrimidin-4-ylmorpholine.

Molecular Properties

Compound Name(2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-thieno[2,3-d]pyrimidin-4-ylmorpholine
PubChem CID95337729
Molecular FormulaC15H17N5OS
Molecular Weight315.40 g/mol
Exact Mass315.12
IUPAC Name(2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-thieno[2,3-d]pyrimidin-4-ylmorpholine
SMILESCc1cnn(C[C@@H]2CN(c3ncnc4sccc34)CCO2)c1
InChIInChI=1S/C15H17N5OS/c1-11-6-18-20(7-11)9-12-8-19(3-4-21-12)14-13-2-5-22-15(13)17-10-16-14/h2,5-7,10,12H,3-4,8-9H2,1H3/t12-/m0/s1
InChIKeyADIMMKRMCRYMBA-LBPRGKRZSA-N
XLogP2.10
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(4-methylpyrazol-1-yl)methyl]-4-pyridin-2-ylmorpholine
CID 133281884
4-thieno[2,3-d]pyrimidin-4-yl-2-thiophen-2-ylmorpholine
CID 133363726
4-thieno[2,3-d]pyrimidin-4-ylmorpholine
CID 2457329
4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 133342026
4-[3-[(4-methylphenyl)methyl]piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 53230258
(2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-(2-thiophen-2-ylethyl)morpholine
CID 95301599
4-[3-(chloromethyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 63390055
(2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]morpholine
CID 95285530
4-[1-(4-methylphenyl)tetrazol-5-yl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine
CID 133281997
4-[3-(bromomethyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 80679387
(2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine
CID 95283767
(2S)-4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-[(4-methylpiperazin-1-yl)methyl]morpholine
CID 97211283

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-thieno[2,3-d]pyrimidin-4-ylmorpholine?
The IUPAC name of (2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-thieno[2,3-d]pyrimidin-4-ylmorpholine (CID 95337729) is (2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-thieno[2,3-d]pyrimidin-4-ylmorpholine.
What is the SMILES notation for (2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-thieno[2,3-d]pyrimidin-4-ylmorpholine?
The canonical SMILES for (2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-thieno[2,3-d]pyrimidin-4-ylmorpholine is Cc1cnn(C[C@@H]2CN(c3ncnc4sccc34)CCO2)c1.
What is the InChIKey of (2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-thieno[2,3-d]pyrimidin-4-ylmorpholine?
The InChIKey is ADIMMKRMCRYMBA-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17N5OS/c1-11-6-18-20(7-11)9-12-8-19(3-4-21-12)14-13-2-5-22-15(13)17-10-16-14/h2,5-7,10,12H,3-4,8-9H2,1H3/t12-/m0/s1.
What are the key properties of (2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-thieno[2,3-d]pyrimidin-4-ylmorpholine?
(2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-thieno[2,3-d]pyrimidin-4-ylmorpholine has a molecular weight of 315.40 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-thieno[2,3-d]pyrimidin-4-ylmorpholine is sourced from PubChem (CID 95337729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).