2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]-1,5-naphthyridine-2,7-diamine

C24H27N9OS — CID 90287860

IUPAC2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]-1,5-naphthyridine-2,7-diamine
SMILESc1nc(CN2CCOCC2)ncc1Nc1cnc2ccc(Nc3nnc(C4CCCC4)s3)nc2c1
InChIInChI=1S/C24H27N9OS/c1-2-4-16(3-1)23-31-32-24(35-23)30-21-6-5-19-20(29-21)11-17(12-25-19)28-18-13-26-22(27-14-18)15-33-7-9-34-10-8-33/h5-6,11-14,16,28H,1-4,7-10,15H2,(H,29,30,32)
InChIKeyBYSUDZYVJGJEKC-UHFFFAOYSA-N
MW489.61 g/mol
LogP4.25
Rot. Bonds7

About 2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]-1,5-naphthyridine-2,7-diamine

2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]-1,5-naphthyridine-2,7-diamine (PubChem CID 90287860) has the molecular formula C24H27N9OS and a molecular weight of 489.61 g/mol. Its IUPAC name is 2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]-1,5-naphthyridine-2,7-diamine.

Molecular Properties

Compound Name2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]-1,5-naphthyridine-2,7-diamine
PubChem CID90287860
Molecular FormulaC24H27N9OS
Molecular Weight489.61 g/mol
Exact Mass489.21
IUPAC Name2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]-1,5-naphthyridine-2,7-diamine
SMILESc1nc(CN2CCOCC2)ncc1Nc1cnc2ccc(Nc3nnc(C4CCCC4)s3)nc2c1
InChIInChI=1S/C24H27N9OS/c1-2-4-16(3-1)23-31-32-24(35-23)30-21-6-5-19-20(29-21)11-17(12-25-19)28-18-13-26-22(27-14-18)15-33-7-9-34-10-8-33/h5-6,11-14,16,28H,1-4,7-10,15H2,(H,29,30,32)
InChIKeyBYSUDZYVJGJEKC-UHFFFAOYSA-N
XLogP4.25
TPSA113.87 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.61
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]-1,5-naphthyridine-2,7-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]-1,5-naphthyridine-2,7-diamine?
The IUPAC name of 2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]-1,5-naphthyridine-2,7-diamine (CID 90287860) is 2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]-1,5-naphthyridine-2,7-diamine.
What is the SMILES notation for 2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]-1,5-naphthyridine-2,7-diamine?
The canonical SMILES for 2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]-1,5-naphthyridine-2,7-diamine is c1nc(CN2CCOCC2)ncc1Nc1cnc2ccc(Nc3nnc(C4CCCC4)s3)nc2c1.
What is the InChIKey of 2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]-1,5-naphthyridine-2,7-diamine?
The InChIKey is BYSUDZYVJGJEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N9OS/c1-2-4-16(3-1)23-31-32-24(35-23)30-21-6-5-19-20(29-21)11-17(12-25-19)28-18-13-26-22(27-14-18)15-33-7-9-34-10-8-33/h5-6,11-14,16,28H,1-4,7-10,15H2,(H,29,30,32).
What are the key properties of 2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]-1,5-naphthyridine-2,7-diamine?
2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]-1,5-naphthyridine-2,7-diamine has a molecular weight of 489.61 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]-1,5-naphthyridine-2,7-diamine is sourced from PubChem (CID 90287860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).