4-(2,8-dichloropyrimido[5,4-d]pyrimidin-4-yl)thiomorpholine

C10H9Cl2N5S — CID 12816991

IUPAC4-(2,8-dichloropyrimido[5,4-d]pyrimidin-4-yl)thiomorpholine
SMILESClc1nc(N2CCSCC2)c2ncnc(Cl)c2n1
InChIInChI=1S/C10H9Cl2N5S/c11-8-6-7(13-5-14-8)9(16-10(12)15-6)17-1-3-18-4-2-17/h5H,1-4H2
InChIKeyDYXKHKBGTLTRIA-UHFFFAOYSA-N
MW302.19 g/mol
LogP2.28
Rot. Bonds1

About 4-(2,8-dichloropyrimido[5,4-d]pyrimidin-4-yl)thiomorpholine

4-(2,8-dichloropyrimido[5,4-d]pyrimidin-4-yl)thiomorpholine (PubChem CID 12816991) has the molecular formula C10H9Cl2N5S and a molecular weight of 302.19 g/mol. Its IUPAC name is 4-(2,8-dichloropyrimido[5,4-d]pyrimidin-4-yl)thiomorpholine.

Molecular Properties

Compound Name4-(2,8-dichloropyrimido[5,4-d]pyrimidin-4-yl)thiomorpholine
PubChem CID12816991
Molecular FormulaC10H9Cl2N5S
Molecular Weight302.19 g/mol
Exact Mass301.00
IUPAC Name4-(2,8-dichloropyrimido[5,4-d]pyrimidin-4-yl)thiomorpholine
SMILESClc1nc(N2CCSCC2)c2ncnc(Cl)c2n1
InChIInChI=1S/C10H9Cl2N5S/c11-8-6-7(13-5-14-8)9(16-10(12)15-6)17-1-3-18-4-2-17/h5H,1-4H2
InChIKeyDYXKHKBGTLTRIA-UHFFFAOYSA-N
XLogP2.28
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2,8-dichloropyrimido[5,4-d]pyrimidin-4-yl)thiomorpholine?
The IUPAC name of 4-(2,8-dichloropyrimido[5,4-d]pyrimidin-4-yl)thiomorpholine (CID 12816991) is 4-(2,8-dichloropyrimido[5,4-d]pyrimidin-4-yl)thiomorpholine.
What is the SMILES notation for 4-(2,8-dichloropyrimido[5,4-d]pyrimidin-4-yl)thiomorpholine?
The canonical SMILES for 4-(2,8-dichloropyrimido[5,4-d]pyrimidin-4-yl)thiomorpholine is Clc1nc(N2CCSCC2)c2ncnc(Cl)c2n1.
What is the InChIKey of 4-(2,8-dichloropyrimido[5,4-d]pyrimidin-4-yl)thiomorpholine?
The InChIKey is DYXKHKBGTLTRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N5S/c11-8-6-7(13-5-14-8)9(16-10(12)15-6)17-1-3-18-4-2-17/h5H,1-4H2.
What are the key properties of 4-(2,8-dichloropyrimido[5,4-d]pyrimidin-4-yl)thiomorpholine?
4-(2,8-dichloropyrimido[5,4-d]pyrimidin-4-yl)thiomorpholine has a molecular weight of 302.19 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,8-dichloropyrimido[5,4-d]pyrimidin-4-yl)thiomorpholine is sourced from PubChem (CID 12816991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).