[4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)morpholin-2-yl]methanamine

C11H13ClN4OS — CID 59829603

IUPAC[4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)morpholin-2-yl]methanamine
SMILESNCC1CN(c2nc(Cl)nc3ccsc23)CCO1
InChIInChI=1S/C11H13ClN4OS/c12-11-14-8-1-4-18-9(8)10(15-11)16-2-3-17-7(5-13)6-16/h1,4,7H,2-3,5-6,13H2
InChIKeyBTOTYOGZTOAMCR-UHFFFAOYSA-N
MW284.77 g/mol
LogP1.51
Rot. Bonds2

About [4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)morpholin-2-yl]methanamine

[4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)morpholin-2-yl]methanamine (PubChem CID 59829603) has the molecular formula C11H13ClN4OS and a molecular weight of 284.77 g/mol. Its IUPAC name is [4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)morpholin-2-yl]methanamine
PubChem CID59829603
Molecular FormulaC11H13ClN4OS
Molecular Weight284.77 g/mol
Exact Mass284.05
IUPAC Name[4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)morpholin-2-yl]methanamine
SMILESNCC1CN(c2nc(Cl)nc3ccsc23)CCO1
InChIInChI=1S/C11H13ClN4OS/c12-11-14-8-1-4-18-9(8)10(15-11)16-2-3-17-7(5-13)6-16/h1,4,7H,2-3,5-6,13H2
InChIKeyBTOTYOGZTOAMCR-UHFFFAOYSA-N
XLogP1.51
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.77
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)morpholin-2-yl]methanamine?
The IUPAC name of [4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)morpholin-2-yl]methanamine (CID 59829603) is [4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)morpholin-2-yl]methanamine.
What is the SMILES notation for [4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)morpholin-2-yl]methanamine?
The canonical SMILES for [4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)morpholin-2-yl]methanamine is NCC1CN(c2nc(Cl)nc3ccsc23)CCO1.
What is the InChIKey of [4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)morpholin-2-yl]methanamine?
The InChIKey is BTOTYOGZTOAMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4OS/c12-11-14-8-1-4-18-9(8)10(15-11)16-2-3-17-7(5-13)6-16/h1,4,7H,2-3,5-6,13H2.
What are the key properties of [4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)morpholin-2-yl]methanamine?
[4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)morpholin-2-yl]methanamine has a molecular weight of 284.77 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)morpholin-2-yl]methanamine is sourced from PubChem (CID 59829603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).