[2-(methylamino)-1,3-thiazol-4-yl]-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone

C16H20N6O2S — CID 56878582

IUPAC[2-(methylamino)-1,3-thiazol-4-yl]-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone
SMILESCNc1nc(C(=O)N2CCc3c(ncnc3N3CCOCC3)C2)cs1
InChIInChI=1S/C16H20N6O2S/c1-17-16-20-13(9-25-16)15(23)22-3-2-11-12(8-22)18-10-19-14(11)21-4-6-24-7-5-21/h9-10H,2-8H2,1H3,(H,17,20)
InChIKeyBUCTVCWOXNCBHO-UHFFFAOYSA-N
MW360.44 g/mol
LogP1.01
Rot. Bonds3

About [2-(methylamino)-1,3-thiazol-4-yl]-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone

[2-(methylamino)-1,3-thiazol-4-yl]-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone (PubChem CID 56878582) has the molecular formula C16H20N6O2S and a molecular weight of 360.44 g/mol. Its IUPAC name is [2-(methylamino)-1,3-thiazol-4-yl]-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone.

Molecular Properties

Compound Name[2-(methylamino)-1,3-thiazol-4-yl]-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone
PubChem CID56878582
Molecular FormulaC16H20N6O2S
Molecular Weight360.44 g/mol
Exact Mass360.14
IUPAC Name[2-(methylamino)-1,3-thiazol-4-yl]-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone
SMILESCNc1nc(C(=O)N2CCc3c(ncnc3N3CCOCC3)C2)cs1
InChIInChI=1S/C16H20N6O2S/c1-17-16-20-13(9-25-16)15(23)22-3-2-11-12(8-22)18-10-19-14(11)21-4-6-24-7-5-21/h9-10H,2-8H2,1H3,(H,17,20)
InChIKeyBUCTVCWOXNCBHO-UHFFFAOYSA-N
XLogP1.01
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-1,3-thiazol-4-yl]-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone?
The IUPAC name of [2-(methylamino)-1,3-thiazol-4-yl]-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone (CID 56878582) is [2-(methylamino)-1,3-thiazol-4-yl]-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone.
What is the SMILES notation for [2-(methylamino)-1,3-thiazol-4-yl]-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone?
The canonical SMILES for [2-(methylamino)-1,3-thiazol-4-yl]-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone is CNc1nc(C(=O)N2CCc3c(ncnc3N3CCOCC3)C2)cs1.
What is the InChIKey of [2-(methylamino)-1,3-thiazol-4-yl]-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone?
The InChIKey is BUCTVCWOXNCBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2S/c1-17-16-20-13(9-25-16)15(23)22-3-2-11-12(8-22)18-10-19-14(11)21-4-6-24-7-5-21/h9-10H,2-8H2,1H3,(H,17,20).
What are the key properties of [2-(methylamino)-1,3-thiazol-4-yl]-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone?
[2-(methylamino)-1,3-thiazol-4-yl]-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone has a molecular weight of 360.44 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-1,3-thiazol-4-yl]-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone is sourced from PubChem (CID 56878582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).