5-[6-[(4-methylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl]pyrimidin-2-amine

C20H26N8OS — CID 56833541

IUPAC5-[6-[(4-methylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl]pyrimidin-2-amine
SMILESCN1CCN(Cc2cc3c(N4CCOCC4)nc(-c4cnc(N)nc4)nc3s2)CC1
InChIInChI=1S/C20H26N8OS/c1-26-2-4-27(5-3-26)13-15-10-16-18(28-6-8-29-9-7-28)24-17(25-19(16)30-15)14-11-22-20(21)23-12-14/h10-12H,2-9,13H2,1H3,(H2,21,22,23)
InChIKeyDFIFOYFVGAPUQY-UHFFFAOYSA-N
MW426.55 g/mol
LogP1.31
Rot. Bonds4

About 5-[6-[(4-methylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl]pyrimidin-2-amine

5-[6-[(4-methylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl]pyrimidin-2-amine (PubChem CID 56833541) has the molecular formula C20H26N8OS and a molecular weight of 426.55 g/mol. Its IUPAC name is 5-[6-[(4-methylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[6-[(4-methylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl]pyrimidin-2-amine
PubChem CID56833541
Molecular FormulaC20H26N8OS
Molecular Weight426.55 g/mol
Exact Mass426.20
IUPAC Name5-[6-[(4-methylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl]pyrimidin-2-amine
SMILESCN1CCN(Cc2cc3c(N4CCOCC4)nc(-c4cnc(N)nc4)nc3s2)CC1
InChIInChI=1S/C20H26N8OS/c1-26-2-4-27(5-3-26)13-15-10-16-18(28-6-8-29-9-7-28)24-17(25-19(16)30-15)14-11-22-20(21)23-12-14/h10-12H,2-9,13H2,1H3,(H2,21,22,23)
InChIKeyDFIFOYFVGAPUQY-UHFFFAOYSA-N
XLogP1.31
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.55
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

4-Methyl-5-(6-{[4-(Methylsulfonyl)piperazin-1-Yl]methyl}-4-Morpholin-4-Ylthieno[3,2-D]pyrimidin-2-Yl)pyrimidin-2-Amine
CID 24946706
5-(6-{[4-(Methylsulfonyl)piperazin-1-Yl]methyl}-4-Morpholin-4-Ylthieno[3,2-D]pyrimidin-2-Yl)pyridin-2-Amine
CID 44620965
5-(6-(2-Aminopropan-2-yl)-4-morpholinothieno[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine
CID 25109014
2-Amino-1-(4-((2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)piperazin-1-yl)ethanone
CID 56648675
5-[6-(4-Methanesulfonyl-piperazin-1-ylmethyl)-4-morpholin-4-yl-thieno[2,3-d]pyrimidin-2-yl]-pyrimidin-2-ylamine
CID 56833458
5-(6-((4-(Methylsulfonyl)piperidin-1-yl)methyl)-4-morpholinothieno[2,3-d]pyrimidin-2-yl)pyrimidin-2-amine
CID 56833544
5-[6-(3-Methylsulfonylphenyl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 56833636
5-[6-[(1-Methylsulfonylpiperidin-4-yl)methyl]-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 56833543
5,6-dimethyl-N-[2-methyl-2-(4-morpholinyl)propyl]-4-thieno[2,3-d]pyrimidinamine
CID 2571309
4-((2-(2-aminopyrimidin-5-yl)-4-morpholinothieno[2,3-d]pyrimidin-6-yl)methyl)-N,N-dimethylpiperazine-1-carboxamide
CID 24947414
5-(7-Methyl-4-morpholinothieno[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine
CID 25109643
N-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl]methyl]-N-methylmethanesulfonamide
CID 25109782

Frequently Asked Questions

What is the IUPAC name of 5-[6-[(4-methylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl]pyrimidin-2-amine?
The IUPAC name of 5-[6-[(4-methylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl]pyrimidin-2-amine (CID 56833541) is 5-[6-[(4-methylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[6-[(4-methylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[6-[(4-methylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl]pyrimidin-2-amine is CN1CCN(Cc2cc3c(N4CCOCC4)nc(-c4cnc(N)nc4)nc3s2)CC1.
What is the InChIKey of 5-[6-[(4-methylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl]pyrimidin-2-amine?
The InChIKey is DFIFOYFVGAPUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N8OS/c1-26-2-4-27(5-3-26)13-15-10-16-18(28-6-8-29-9-7-28)24-17(25-19(16)30-15)14-11-22-20(21)23-12-14/h10-12H,2-9,13H2,1H3,(H2,21,22,23).
What are the key properties of 5-[6-[(4-methylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl]pyrimidin-2-amine?
5-[6-[(4-methylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl]pyrimidin-2-amine has a molecular weight of 426.55 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[(4-methylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 56833541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).