1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-(2-methoxyethyl)-N-methylpiperidin-4-amine

C20H30ClN5O2S — CID 57493974

IUPAC1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-(2-methoxyethyl)-N-methylpiperidin-4-amine
SMILESCOCCN(C)C1CCN(Cc2cc3nc(Cl)nc(N4CCOCC4)c3s2)CC1
InChIInChI=1S/C20H30ClN5O2S/c1-24(7-10-27-2)15-3-5-25(6-4-15)14-16-13-17-18(29-16)19(23-20(21)22-17)26-8-11-28-12-9-26/h13,15H,3-12,14H2,1-2H3
InChIKeyHHHRZFFDUUHIPL-UHFFFAOYSA-N
MW440.01 g/mol
LogP2.72
Rot. Bonds7

About 1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-(2-methoxyethyl)-N-methylpiperidin-4-amine

1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-(2-methoxyethyl)-N-methylpiperidin-4-amine (PubChem CID 57493974) has the molecular formula C20H30ClN5O2S and a molecular weight of 440.01 g/mol. Its IUPAC name is 1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-(2-methoxyethyl)-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-(2-methoxyethyl)-N-methylpiperidin-4-amine
PubChem CID57493974
Molecular FormulaC20H30ClN5O2S
Molecular Weight440.01 g/mol
Exact Mass439.18
IUPAC Name1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-(2-methoxyethyl)-N-methylpiperidin-4-amine
SMILESCOCCN(C)C1CCN(Cc2cc3nc(Cl)nc(N4CCOCC4)c3s2)CC1
InChIInChI=1S/C20H30ClN5O2S/c1-24(7-10-27-2)15-3-5-25(6-4-15)14-16-13-17-18(29-16)19(23-20(21)22-17)26-8-11-28-12-9-26/h13,15H,3-12,14H2,1-2H3
InChIKeyHHHRZFFDUUHIPL-UHFFFAOYSA-N
XLogP2.72
TPSA53.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.01
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-(2-methoxyethyl)-N-methylpiperidin-4-amine?
The IUPAC name of 1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-(2-methoxyethyl)-N-methylpiperidin-4-amine (CID 57493974) is 1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-(2-methoxyethyl)-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-(2-methoxyethyl)-N-methylpiperidin-4-amine?
The canonical SMILES for 1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-(2-methoxyethyl)-N-methylpiperidin-4-amine is COCCN(C)C1CCN(Cc2cc3nc(Cl)nc(N4CCOCC4)c3s2)CC1.
What is the InChIKey of 1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-(2-methoxyethyl)-N-methylpiperidin-4-amine?
The InChIKey is HHHRZFFDUUHIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClN5O2S/c1-24(7-10-27-2)15-3-5-25(6-4-15)14-16-13-17-18(29-16)19(23-20(21)22-17)26-8-11-28-12-9-26/h13,15H,3-12,14H2,1-2H3.
What are the key properties of 1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-(2-methoxyethyl)-N-methylpiperidin-4-amine?
1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-(2-methoxyethyl)-N-methylpiperidin-4-amine has a molecular weight of 440.01 g/mol, XLogP of 2.72, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-(2-methoxyethyl)-N-methylpiperidin-4-amine is sourced from PubChem (CID 57493974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).