2-[[4-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]methyl]pyridin-3-ol

C21H25ClN6O2S — CID 140527315

IUPAC2-[[4-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]methyl]pyridin-3-ol
SMILESOc1cccnc1CN1CCN(Cc2cc3nc(Cl)nc(N4CCOCC4)c3s2)CC1
InChIInChI=1S/C21H25ClN6O2S/c22-21-24-16-12-15(31-19(16)20(25-21)28-8-10-30-11-9-28)13-26-4-6-27(7-5-26)14-17-18(29)2-1-3-23-17/h1-3,12,29H,4-11,13-14H2
InChIKeyLYMTYHCZHFZEIA-UHFFFAOYSA-N
MW460.99 g/mol
LogP2.60
Rot. Bonds5

About 2-[[4-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]methyl]pyridin-3-ol

2-[[4-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]methyl]pyridin-3-ol (PubChem CID 140527315) has the molecular formula C21H25ClN6O2S and a molecular weight of 460.99 g/mol. Its IUPAC name is 2-[[4-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]methyl]pyridin-3-ol.

Molecular Properties

Compound Name2-[[4-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]methyl]pyridin-3-ol
PubChem CID140527315
Molecular FormulaC21H25ClN6O2S
Molecular Weight460.99 g/mol
Exact Mass460.14
IUPAC Name2-[[4-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]methyl]pyridin-3-ol
SMILESOc1cccnc1CN1CCN(Cc2cc3nc(Cl)nc(N4CCOCC4)c3s2)CC1
InChIInChI=1S/C21H25ClN6O2S/c22-21-24-16-12-15(31-19(16)20(25-21)28-8-10-30-11-9-28)13-26-4-6-27(7-5-26)14-17-18(29)2-1-3-23-17/h1-3,12,29H,4-11,13-14H2
InChIKeyLYMTYHCZHFZEIA-UHFFFAOYSA-N
XLogP2.60
TPSA77.85 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.99
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[[4-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]methyl]pyridin-3-ol with MolForge

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Launch Full Analysis

Related Compounds

1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-4-phenylpiperidin-4-ol
CID 86623539
2-[4-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]-2-methylpropan-1-ol
CID 57493976
4-[2-chloro-6-(chloromethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 66553795
tert-butyl 4-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazine-1-carboxylate
CID 57494058
4-[2-chloro-6-[(4-piperidin-1-ylpiperidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 86623510
4-[2-chloro-6-[[4-(methylsulfonylmethylsulfonyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 87209439
4-[2-chloro-6-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 86623549
4-[2-chloro-6-[[4-(2-methoxyethyl)piperidin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 57494043
1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-(2-methoxyethyl)-N-methylpiperidin-4-amine
CID 57493974
4-[2-chloro-6-[[3,5-dimethyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 76543090
4-[2-chloro-6-[(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 86619258
4-[2-chloro-6-(pyridin-4-ylmethoxymethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 86618427

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]methyl]pyridin-3-ol?
The IUPAC name of 2-[[4-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]methyl]pyridin-3-ol (CID 140527315) is 2-[[4-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]methyl]pyridin-3-ol.
What is the SMILES notation for 2-[[4-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]methyl]pyridin-3-ol?
The canonical SMILES for 2-[[4-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]methyl]pyridin-3-ol is Oc1cccnc1CN1CCN(Cc2cc3nc(Cl)nc(N4CCOCC4)c3s2)CC1.
What is the InChIKey of 2-[[4-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]methyl]pyridin-3-ol?
The InChIKey is LYMTYHCZHFZEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN6O2S/c22-21-24-16-12-15(31-19(16)20(25-21)28-8-10-30-11-9-28)13-26-4-6-27(7-5-26)14-17-18(29)2-1-3-23-17/h1-3,12,29H,4-11,13-14H2.
What are the key properties of 2-[[4-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]methyl]pyridin-3-ol?
2-[[4-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]methyl]pyridin-3-ol has a molecular weight of 460.99 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]methyl]pyridin-3-ol is sourced from PubChem (CID 140527315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).