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

C19H28ClN5O2S — CID 59605576

IUPACN-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
SMILESCC(C)(CNCc1cc2nc(Cl)nc(N3CCOCC3)c2s1)N1CCOCC1
InChIInChI=1S/C19H28ClN5O2S/c1-19(2,25-5-9-27-10-6-25)13-21-12-14-11-15-16(28-14)17(23-18(20)22-15)24-3-7-26-8-4-24/h11,21H,3-10,12-13H2,1-2H3
InChIKeyDWBRHOAQWDQOMV-UHFFFAOYSA-N
MW425.99 g/mol
LogP2.38
Rot. Bonds6

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

N-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine (PubChem CID 59605576) has the molecular formula C19H28ClN5O2S and a molecular weight of 425.99 g/mol. Its IUPAC name is N-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
PubChem CID59605576
Molecular FormulaC19H28ClN5O2S
Molecular Weight425.99 g/mol
Exact Mass425.17
IUPAC NameN-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
SMILESCC(C)(CNCc1cc2nc(Cl)nc(N3CCOCC3)c2s1)N1CCOCC1
InChIInChI=1S/C19H28ClN5O2S/c1-19(2,25-5-9-27-10-6-25)13-21-12-14-11-15-16(28-14)17(23-18(20)22-15)24-3-7-26-8-4-24/h11,21H,3-10,12-13H2,1-2H3
InChIKeyDWBRHOAQWDQOMV-UHFFFAOYSA-N
XLogP2.38
TPSA62.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.99
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine (CID 59605576) is N-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine is CC(C)(CNCc1cc2nc(Cl)nc(N3CCOCC3)c2s1)N1CCOCC1.
What is the InChIKey of N-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine?
The InChIKey is DWBRHOAQWDQOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN5O2S/c1-19(2,25-5-9-27-10-6-25)13-21-12-14-11-15-16(28-14)17(23-18(20)22-15)24-3-7-26-8-4-24/h11,21H,3-10,12-13H2,1-2H3.
What are the key properties of N-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine?
N-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine has a molecular weight of 425.99 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 59605576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).