2-amino-4-cyclopropyl-7-fluoro-5-methyl-6-(4-pyridin-4-ylthiophen-2-yl)pyrido[1,2-c]pyrimidine-1,3-dione

C21H17FN4O2S — CID 10112105

IUPAC2-amino-4-cyclopropyl-7-fluoro-5-methyl-6-(4-pyridin-4-ylthiophen-2-yl)pyrido[1,2-c]pyrimidine-1,3-dione
SMILESCc1c(-c2cc(-c3ccncc3)cs2)c(F)cn2c(=O)n(N)c(=O)c(C3CC3)c12
InChIInChI=1S/C21H17FN4O2S/c1-11-17(16-8-14(10-29-16)12-4-6-24-7-5-12)15(22)9-25-19(11)18(13-2-3-13)20(27)26(23)21(25)28/h4-10,13H,2-3,23H2,1H3
InChIKeyHARGLMHJOSMYGD-UHFFFAOYSA-N
MW408.46 g/mol
LogP3.29
Rot. Bonds3

About 2-amino-4-cyclopropyl-7-fluoro-5-methyl-6-(4-pyridin-4-ylthiophen-2-yl)pyrido[1,2-c]pyrimidine-1,3-dione

2-amino-4-cyclopropyl-7-fluoro-5-methyl-6-(4-pyridin-4-ylthiophen-2-yl)pyrido[1,2-c]pyrimidine-1,3-dione (PubChem CID 10112105) has the molecular formula C21H17FN4O2S and a molecular weight of 408.46 g/mol. Its IUPAC name is 2-amino-4-cyclopropyl-7-fluoro-5-methyl-6-(4-pyridin-4-ylthiophen-2-yl)pyrido[1,2-c]pyrimidine-1,3-dione.

Molecular Properties

Compound Name2-amino-4-cyclopropyl-7-fluoro-5-methyl-6-(4-pyridin-4-ylthiophen-2-yl)pyrido[1,2-c]pyrimidine-1,3-dione
PubChem CID10112105
Molecular FormulaC21H17FN4O2S
Molecular Weight408.46 g/mol
Exact Mass408.11
IUPAC Name2-amino-4-cyclopropyl-7-fluoro-5-methyl-6-(4-pyridin-4-ylthiophen-2-yl)pyrido[1,2-c]pyrimidine-1,3-dione
SMILESCc1c(-c2cc(-c3ccncc3)cs2)c(F)cn2c(=O)n(N)c(=O)c(C3CC3)c12
InChIInChI=1S/C21H17FN4O2S/c1-11-17(16-8-14(10-29-16)12-4-6-24-7-5-12)15(22)9-25-19(11)18(13-2-3-13)20(27)26(23)21(25)28/h4-10,13H,2-3,23H2,1H3
InChIKeyHARGLMHJOSMYGD-UHFFFAOYSA-N
XLogP3.29
TPSA82.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-cyclopropyl-7-fluoro-5-methyl-6-(4-pyridin-4-ylthiophen-2-yl)pyrido[1,2-c]pyrimidine-1,3-dione?
The IUPAC name of 2-amino-4-cyclopropyl-7-fluoro-5-methyl-6-(4-pyridin-4-ylthiophen-2-yl)pyrido[1,2-c]pyrimidine-1,3-dione (CID 10112105) is 2-amino-4-cyclopropyl-7-fluoro-5-methyl-6-(4-pyridin-4-ylthiophen-2-yl)pyrido[1,2-c]pyrimidine-1,3-dione.
What is the SMILES notation for 2-amino-4-cyclopropyl-7-fluoro-5-methyl-6-(4-pyridin-4-ylthiophen-2-yl)pyrido[1,2-c]pyrimidine-1,3-dione?
The canonical SMILES for 2-amino-4-cyclopropyl-7-fluoro-5-methyl-6-(4-pyridin-4-ylthiophen-2-yl)pyrido[1,2-c]pyrimidine-1,3-dione is Cc1c(-c2cc(-c3ccncc3)cs2)c(F)cn2c(=O)n(N)c(=O)c(C3CC3)c12.
What is the InChIKey of 2-amino-4-cyclopropyl-7-fluoro-5-methyl-6-(4-pyridin-4-ylthiophen-2-yl)pyrido[1,2-c]pyrimidine-1,3-dione?
The InChIKey is HARGLMHJOSMYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O2S/c1-11-17(16-8-14(10-29-16)12-4-6-24-7-5-12)15(22)9-25-19(11)18(13-2-3-13)20(27)26(23)21(25)28/h4-10,13H,2-3,23H2,1H3.
What are the key properties of 2-amino-4-cyclopropyl-7-fluoro-5-methyl-6-(4-pyridin-4-ylthiophen-2-yl)pyrido[1,2-c]pyrimidine-1,3-dione?
2-amino-4-cyclopropyl-7-fluoro-5-methyl-6-(4-pyridin-4-ylthiophen-2-yl)pyrido[1,2-c]pyrimidine-1,3-dione has a molecular weight of 408.46 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-cyclopropyl-7-fluoro-5-methyl-6-(4-pyridin-4-ylthiophen-2-yl)pyrido[1,2-c]pyrimidine-1,3-dione is sourced from PubChem (CID 10112105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).